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

Systemtic Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[[1H-benzimidazol-2-ylmethyl(methyl)amino]-oxomethyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)NC(C(=O)NC4)CC(=O)O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)NC(C(=O)NC4)CC(=O)O

InChI

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