2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[1H-benzimidazol-2-ylmethyl(methyl)amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C29H28N5O4- MolecularWeight: 510.56372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)NC(C(=O)N(C4)CCC5=CC=CC=C5)CC(=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)NC(C(=O)N(C4)CCC5=CC=CC=C5)CC(=O)[O-]

InChI

InChI=1S/C29H29N5O4/c1-33(18-26-31-23-9-5-6-10-24(23)32-26)28(37)20-11-12-22-21(15-20)17-34(14-13-19-7-3-2-4-8-19)29(38)25(30-22)16-27(35)36/h2-12,15,25,30H,13-14,16-18H2,1H3,(H,31,32)(H,35,36)/p-1