methyl (E)-4-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoate Openeye Name: methyl (E)-4-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoate CAS Name: (E)-4-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoate Traditional Name: (E)-4-[3-(1H-indole-2-carbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoic acid methyl ester Formula: C29H24N4O4 MolecularWeight: 492.52526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)/C=C/CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O4/c1-37-25(34)16-9-17-33-24-15-8-6-13-21(24)26(19-10-3-2-4-11-19)31-27(29(33)36)32-28(35)23-18-20-12-5-7-14-22(20)30-23/h2-16,18,27,30H,17H2,1H3,(H,32,35)/b16-9+