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

Systemtic Name: 3-(cyclopropylmethyl)-N'-[2-oxidanylidene-5-phenyl-1-[3-(phenylcarbonyl)phenyl]-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: N'-[1-(3-benzoylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-propyl-butanediamide CAS Name: N'-[1-(3-benzoylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-propylbutanediamide IUPAC Name: N'-[1-(3-benzoylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-propylbutanediamide Traditional Name: N'-[1-(3-benzoylphenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclopropylmethyl)-2-propyl-succinamide Formula: C39H38N4O4 MolecularWeight: 626.74342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=CC=CC(=C5)C(=O)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=CC=CC(=C5)C(=O)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C39H38N4O4/c1-2-12-30(36(40)45)32(23-25-21-22-25)38(46)42-37-39(47)43(29-18-11-17-28(24-29)35(44)27-15-7-4-8-16-27)33-20-10-9-19-31(33)34(41-37)26-13-5-3-6-14-26/h3-11,13-20,24-25,30,32,37H,2,12,21-23H2,1H3,(H2,40,45)(H,42,46)