69A

(4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide

Created:	2016-02-19
Last modified:	2016-04-20

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1 entries where 69A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	12

2D diagram of 69A

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Chemical Component Summary
Name	(4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide
Systematic Name (OpenEye OEToolkits)	(4~{R})-4-methyl-2-oxidanylidene-~{N}-(phenylmethyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula	C₁₈ H₁₉ N₃ O₂
Molecular Weight	309.362
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2ccc1NC(=O)CC(C)Nc1c2C(NCc3ccccc3)=O
SMILES	CACTVS	3.385	C[CH]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1
SMILES	OpenEye OEToolkits	2.0.4	CC1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3
Canonical SMILES	CACTVS	3.385	C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3
InChI	InChI	1.03	InChI=1S/C18H19N3O2/c1-12-10-16(22)21-15-9-5-8-14(17(15)20-12)18(23)19-11-13-6-3-2-4-7-13/h2-9,12,20H,10-11H2,1H3,(H,19,23)(H,21,22)/t12-/m1/s1
InChIKey	InChI	1.03	NUBAPEXWNUTLEU-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3814891
PubChem	127053005
ChEMBL	CHEMBL3814891

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