3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: 3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide CAS Name: 3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide IUPAC Name: 3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide Traditional Name: 3-(cyclobutylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-succinamide Formula: C40H42N4O4 MolecularWeight: 642.78588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1CCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCC(C(CC1CCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C40H42N4O4/c1-2-13-32(37(41)45)34(25-27-14-11-15-27)39(46)43-38-40(47)44(26-28-16-12-21-31(24-28)48-30-19-7-4-8-20-30)35-23-10-9-22-33(35)36(42-38)29-17-5-3-6-18-29/h3-10,12,16-24,27,32,34,38H,2,11,13-15,25-26H2,1H3,(H2,41,45)(H,43,46)