RW7

(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Created:	2020-02-27
Last modified:	2020-07-08

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1 entries where RW7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of RW7

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Chemical Component Summary
Name	(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3~{S})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione
Formula	C₁₄ H₁₈ N₂ O₂
Molecular Weight	246.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2c1ccccc1C(=O)N(C)C(C)(CCC)C2=O
SMILES	CACTVS	3.385	CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O
SMILES	OpenEye OEToolkits	2.0.6	CCCC1(C(=O)Nc2ccccc2C(=O)N1C)C
Canonical SMILES	CACTVS	3.385	CCC[C@]1(C)N(C)C(=O)c2ccccc2NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C
InChI	InChI	1.03	InChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m0/s1
InChIKey	InChI	1.03	CNQOZARVGPMUHF-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	146673463

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