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

Systemtic Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-3-[6-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride Openeye Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride CAS Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[(3R)-4-(2-methoxyethyl)-3-methyl-1-piperazinyl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridinone dihydrochloride IUPAC Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]pyridin-2-one dihydrochloride Traditional Name: (3E)-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-3-[6-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazino]-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-pyridone dihydrochloride Formula: C29H37Cl3N6O3 MolecularWeight: 624.00148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCOC)C2=CC3=C(C(=C2)C)NC(=C4C(=CC=NC4=O)NCC(C5=CC(=CC=C5)Cl)O)N3.Cl.Cl

Isomeric SMILES

C[C@@H]1CN(CCN1CCOC)C2=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/C29H35ClN6O3.2ClH/c1-18-13-22(36-10-9-35(11-12-39-3)19(2)17-36)15-24-27(18)34-28(33-24)26-23(7-8-31-29(26)38)32-16-25(37)20-5-4-6-21(30)14-20;;/h4-8,13-15,19,25,32-34,37H,9-12,16-17H2,1-3H3;2*1H/b28-26+;;/t19-,25-;;/m1../s1