2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Formula: C20H18N5O4- MolecularWeight: 392.38802

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C(=O)N1)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C(=O)N1)CC(=O)[O-]

InChI

InChI=1S/C20H19N5O4/c26-18(27)8-16-20(29)21-9-12-7-11(5-6-13(12)23-16)19(28)22-10-17-24-14-3-1-2-4-15(14)25-17/h1-7,16,23H,8-10H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)/p-1