(3E)-4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-[4-methyl-6-(2-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride

Systemtic Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-[4-methyl-6-(2-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride Openeye Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[4-methyl-6-(2-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride CAS Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(2-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone dihydrochloride IUPAC Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(2-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride Traditional Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[4-methyl-6-(2-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridone dihydrochloride Formula: C26H31Cl3N6O2 MolecularWeight: 565.92234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=CC3=C(C(=C2)C)NC(=C4C(=CC=NC4=O)NCC(C5=CC(=CC=C5)Cl)O)N3.Cl.Cl

Isomeric SMILES

CC1CNCCN1C2=CC3=C(C(=C2)C)N/C(=C/4\C(=CC=NC4=O)NC[C@H](C5=CC(=CC=C5)Cl)O)/N3.Cl.Cl

InChI

InChI=1S/C26H29ClN6O2.2ClH/c1-15-10-19(33-9-8-28-13-16(33)2)12-21-24(15)32-25(31-21)23-20(6-7-29-26(23)35)30-14-22(34)17-4-3-5-18(27)11-17;;/h3-7,10-12,16,22,28,30-32,34H,8-9,13-14H2,1-2H3;2*1H/b25-23+;;/t16?,22-;;/m1../s1