[2-acetyloxy-4-[[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]methyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]methyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]methyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]methyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[[3-(1H-indole-2-carbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]methyl]phenyl] ester Formula: C35H28N4O6 MolecularWeight: 600.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)C6=CC=CC=C6)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)C4=CC5=CC=CC=C5N4)C6=CC=CC=C6)OC(=O)C

InChI

InChI=1S/C35H28N4O6/c1-21(40)44-30-17-16-23(18-31(30)45-22(2)41)20-39-29-15-9-7-13-26(29)32(24-10-4-3-5-11-24)37-33(35(39)43)38-34(42)28-19-25-12-6-8-14-27(25)36-28/h3-19,33,36H,20H2,1-2H3,(H,38,42)