(3Z)-4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-[6-(4-cyclobutylpiperazin-1-yl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one

Systemtic Name: (3Z)-4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-[6-(4-cyclobutylpiperazin-1-yl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one Openeye Name: (3Z)-4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-(4-cyclobutylpiperazin-1-yl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one CAS Name: (3Z)-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(4-cyclobutyl-1-piperazinyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone IUPAC Name: (3Z)-4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(4-cyclobutylpiperazin-1-yl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one Traditional Name: (3Z)-4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-(4-cyclobutylpiperazino)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridone Formula: C29H33ClN6O2 MolecularWeight: 533.06432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCN(CC5)C6CCC6

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)/N2)N5CCN(CC5)C6CCC6

InChI

InChI=1S/C29H33ClN6O2/c1-18-14-22(36-12-10-35(11-13-36)21-6-3-7-21)16-24-27(18)34-28(33-24)26-23(8-9-31-29(26)38)32-17-25(37)19-4-2-5-20(30)15-19/h2,4-5,8-9,14-16,21,25,32-34,37H,3,6-7,10-13,17H2,1H3/b28-26-