N-[1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-2-oxidanylidene-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-2-keto-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Formula: C28H22N6O2 MolecularWeight: 474.51328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3N(C(=O)C(=N2)NC(=O)C4=CC5=CC=CC=C5N4)CC6=CN=CN6

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3N(C(=O)C(=N2)NC(=O)C4=CC5=CC=CC=C5N4)CC6=CN=CN6

InChI

InChI=1S/C28H22N6O2/c35-27(23-14-19-10-4-6-12-22(19)31-23)33-26-28(36)34(16-20-15-29-17-30-20)24-13-7-5-11-21(24)25(32-26)18-8-2-1-3-9-18/h1-15,17,25,31H,16H2,(H,29,30)(H,32,33,35)