2-butyl-3-(cyclopentylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(cyclopentylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclopentylmethyl)-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclopentylmethyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(cyclopentylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-keto-1-[3-(2-naphthyl)benzyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C46H48N4O3 MolecularWeight: 704.89832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC=CC(=C5)C6=CC7=CC=CC=C7C=C6)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC=CC(=C5)C6=CC7=CC=CC=C7C=C6)C(=O)N

InChI

InChI=1S/C46H48N4O3/c1-2-3-22-38(43(47)51)40(28-31-14-7-8-15-31)45(52)49-44-46(53)50(41-24-12-11-23-39(41)42(48-44)34-18-5-4-6-19-34)30-32-16-13-21-35(27-32)37-26-25-33-17-9-10-20-36(33)29-37/h4-6,9-13,16-21,23-27,29,31,38,40,44H,2-3,7-8,14-15,22,28,30H2,1H3,(H2,47,51)(H,49,52)