2-[3-oxidanylidene-1-(6-pyrrolidin-1-ylpyridin-3-yl)carbonyl-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-1-(6-pyrrolidin-1-ylpyridin-3-yl)carbonyl-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-1-[oxo-[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-1-(6-pyrrolidinonicotinoyl)-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C21H22N4O4/c26-19-13-25(17-6-2-1-5-16(17)12-24(19)14-20(27)28)21(29)15-7-8-18(22-11-15)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,27,28)