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

Systemtic Name: 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-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)NCCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C22H23N5O4/c1-27-12-14-10-13(6-7-15(14)24-18(22(27)31)11-20(28)29)21(30)23-9-8-19-25-16-4-2-3-5-17(16)26-19/h2-7,10,18,24H,8-9,11-12H2,1H3,(H,23,30)(H,25,26)(H,28,29)