2-[1-[(2-cyanophenyl)methyl]-2-oxidanylidene-3-(phenylmethyl)imidazo[4,5-c]pyridin-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[1-[(2-cyanophenyl)methyl]-2-oxidanylidene-3-(phenylmethyl)imidazo[4,5-c]pyridin-4-yl]piperazine-1-carboxylic acid Openeye Name: 2-[3-benzyl-1-[(2-cyanophenyl)methyl]-2-oxo-imidazo[4,5-c]pyridin-4-yl]piperazine-1-carboxylic acid CAS Name: 2-[1-[(2-cyanophenyl)methyl]-2-oxo-3-(phenylmethyl)-4-imidazo[4,5-c]pyridinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[3-benzyl-1-[(2-cyanophenyl)methyl]-2-oxoimidazo[4,5-c]pyridin-4-yl]piperazine-1-carboxylic acid Traditional Name: 2-[3-benzyl-1-(2-cyanobenzyl)-2-keto-imidazo[4,5-c]pyridin-4-yl]piperazine-1-carboxylic acid Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=NC=CC3=C2N(C(=O)N3CC4=CC=CC=C4C#N)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=NC=CC3=C2N(C(=O)N3CC4=CC=CC=C4C#N)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H24N6O3/c27-14-19-8-4-5-9-20(19)17-31-21-10-11-29-23(22-15-28-12-13-30(22)26(34)35)24(21)32(25(31)33)16-18-6-2-1-3-7-18/h1-11,22,28H,12-13,15-17H2,(H,34,35)