4-(2,5-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-butan-1-one hydrochloride

Systemtic Name: 4-(2,5-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-butan-1-one hydrochloride Openeye Name: 4-(2,5-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenyl-butan-1-one hydrochloride CAS Name: 4-(2,5-dimethoxyphenyl)-1-(4-methyl-1-piperazinyl)-4-phenyl-1-butanone hydrochloride IUPAC Name: 4-(2,5-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)-4-phenylbutan-1-one hydrochloride Traditional Name: 4-(2,5-dimethoxyphenyl)-1-(4-methylpiperazino)-4-phenyl-butan-1-one hydrochloride Formula: C23H31ClN2O3 MolecularWeight: 418.95684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=C(C=CC(=C3)OC)OC.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=C(C=CC(=C3)OC)OC.Cl

InChI

InChI=1S/C23H30N2O3.ClH/c1-24-13-15-25(16-14-24)23(26)12-10-20(18-7-5-4-6-8-18)21-17-19(27-2)9-11-22(21)28-3;/h4-9,11,17,20H,10,12-16H2,1-3H3;1H