2-(4-chlorophenyl)-2-ethanoyl-3-imidazo[4,5-b]pyridin-3-yl-piperazine-1-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-2-ethanoyl-3-imidazo[4,5-b]pyridin-3-yl-piperazine-1-carboxylic acid Openeye Name: 2-acetyl-2-(4-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-piperazine-1-carboxylic acid CAS Name: 2-acetyl-2-(4-chlorophenyl)-3-(3-imidazo[4,5-b]pyridinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-acetyl-2-(4-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpiperazine-1-carboxylic acid Traditional Name: 2-acetyl-2-(4-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-yl-piperazine-1-carboxylic acid Formula: C19H18ClN5O3 MolecularWeight: 399.83092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(NCCN1C(=O)O)N2C=NC3=C2N=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1(C(NCCN1C(=O)O)N2C=NC3=C2N=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN5O3/c1-12(26)19(13-4-6-14(20)7-5-13)17(22-9-10-25(19)18(27)28)24-11-23-15-3-2-8-21-16(15)24/h2-8,11,17,22H,9-10H2,1H3,(H,27,28)