2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H21N5O4/c1-26-11-13-7-6-12(8-16(13)23-17(21(26)30)9-19(27)28)20(29)22-10-18-24-14-4-2-3-5-15(14)25-18/h2-8,17,23H,9-11H2,1H3,(H,22,29)(H,24,25)(H,27,28)