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

Systemtic Name: 3-(cyclobutylmethyl)-N'-[2-oxidanylidene-5-phenyl-1-[3-(phenylcarbonyl)phenyl]-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclobutylmethyl)butanediamide CAS Name: N'-[1-(3-benzoylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclobutylmethyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(3-benzoylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclobutylmethyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(cyclobutylmethyl)succinamide Formula: C40H38N4O4 MolecularWeight: 638.75412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCC1)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

C=CCC(C(CC1CCC1)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/C40H38N4O4/c1-2-13-31(37(41)46)33(24-26-14-11-15-26)39(47)43-38-40(48)44(30-21-12-20-29(25-30)36(45)28-18-7-4-8-19-28)34-23-10-9-22-32(34)35(42-38)27-16-5-3-6-17-27/h2-10,12,16-23,25-26,31,33,38H,1,11,13-15,24H2,(H2,41,46)(H,43,47)