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

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C40H44N4O4 MolecularWeight: 644.80176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C40H44N4O4/c1-4-5-21-32(37(41)45)34(24-27(2)3)39(46)43-38-40(47)44(26-28-15-14-20-31(25-28)48-30-18-10-7-11-19-30)35-23-13-12-22-33(35)36(42-38)29-16-8-6-9-17-29/h6-20,22-23,25,27,32,34,38H,4-5,21,24,26H2,1-3H3,(H2,41,45)(H,43,46)