Y41

3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

Created:	2020-08-04
Last modified:	2020-08-12

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2 entries where Y41 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	17

2D diagram of Y41

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Chemical Component Summary
Name	3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Systematic Name (OpenEye OEToolkits)	3-azanyl-2-methyl-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]benzamide
Formula	C₂₀ H₂₀ N₂ O
Molecular Weight	304.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3
SMILES	CACTVS	3.385	C[CH](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cccc1N)C(=O)NC(C)c2cccc3c2cccc3
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3
InChI	InChI	1.03	InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKey	InChI	1.03	PZEBTCMUWPLVEX-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	153835436

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