2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-1,4-dimethyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-1,4-dimethyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-1,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-26-12-14-9-13(7-8-17(14)27(2)18(22(26)31)10-20(28)29)21(30)23-11-19-24-15-5-3-4-6-16(15)25-19/h3-9,18H,10-12H2,1-2H3,(H,23,30)(H,24,25)(H,28,29)