4-[[(2Z)-2-[4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]carbonyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[(2Z)-2-[4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]carbonyl]piperazine-1-carboxylic acid Openeye Name: 4-[(2Z)-2-[4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[(2Z)-2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-3-pyridinylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(2Z)-2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[(2Z)-2-[4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-2-keto-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carbonyl]piperazine-1-carboxylic acid Formula: C27H27ClN6O5 MolecularWeight: 550.99348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)N3CCN(CC3)C(=O)O)NC(=C4C(=CC=NC4=O)NCC(C5=CC(=CC=C5)Cl)O)N2

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)N3CCN(CC3)C(=O)O)N/C(=C/4\C(=CC=NC4=O)NCC(C5=CC(=CC=C5)Cl)O)/N2

InChI

InChI=1S/C27H27ClN6O5/c1-15-11-17(26(37)33-7-9-34(10-8-33)27(38)39)13-20-23(15)32-24(31-20)22-19(5-6-29-25(22)36)30-14-21(35)16-3-2-4-18(28)12-16/h2-6,11-13,21,30-32,35H,7-10,14H2,1H3,(H,38,39)/b24-22-