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

Systemtic Name: 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(1H-benzimidazol-2-ylamino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-(1H-benzimidazol-2-ylcarbamoyl)-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C20H19N5O4/c1-25-10-12-8-11(6-7-13(12)21-16(19(25)29)9-17(26)27)18(28)24-20-22-14-4-2-3-5-15(14)23-20/h2-8,16,21H,9-10H2,1H3,(H,26,27)(H2,22,23,24,28)