2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-9-chloranyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-9-chloranyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-9-chloro-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-9-chloro-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-9-chloro-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-9-chloro-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C21H19ClN5O4- MolecularWeight: 440.85966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C(=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)Cl)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C(=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)Cl)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C21H20ClN5O4/c1-27-10-12-6-11(7-13(22)19(12)26-16(21(27)31)8-18(28)29)20(30)23-9-17-24-14-4-2-3-5-15(14)25-17/h2-7,16,26H,8-10H2,1H3,(H,23,30)(H,24,25)(H,28,29)/p-1