2-butyl-3-(2-methylpropyl)-N'-[4-oxidanylidene-5-[(3-phenoxyphenyl)methyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-[4-oxidanylidene-5-[(3-phenoxyphenyl)methyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-[4-oxo-5-[(3-phenoxyphenyl)methyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-[4-oxo-5-[(3-phenoxyphenyl)methyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-[4-oxo-5-[(3-phenoxyphenyl)methyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-[4-keto-5-(3-phenoxybenzyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]succinamide Formula: C40H46N4O4 MolecularWeight: 646.81764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C40H46N4O4/c1-4-5-21-33(38(41)45)34(24-28(2)3)39(46)42-35-27-43(30-16-8-6-9-17-30)36-22-12-13-23-37(36)44(40(35)47)26-29-15-14-20-32(25-29)48-31-18-10-7-11-19-31/h6-20,22-23,25,28,33-35H,4-5,21,24,26-27H2,1-3H3,(H2,41,45)(H,42,46)