(E)-1-[4-(2-cyclohexylphenyl)-3-methyl-piperazin-1-yl]-3-phenyl-prop-2-en-1-one hydrochloride

Systemtic Name: (E)-1-[4-(2-cyclohexylphenyl)-3-methyl-piperazin-1-yl]-3-phenyl-prop-2-en-1-one hydrochloride Openeye Name: (E)-1-[4-(2-cyclohexylphenyl)-3-methyl-piperazin-1-yl]-3-phenyl-prop-2-en-1-one hydrochloride CAS Name: (E)-1-[4-(2-cyclohexylphenyl)-3-methyl-1-piperazinyl]-3-phenyl-2-propen-1-one hydrochloride IUPAC Name: (E)-1-[4-(2-cyclohexylphenyl)-3-methylpiperazin-1-yl]-3-phenylprop-2-en-1-one hydrochloride Traditional Name: (E)-1-[4-(2-cyclohexylphenyl)-3-methyl-piperazino]-3-phenyl-prop-2-en-1-one hydrochloride Formula: C26H33ClN2O MolecularWeight: 425.00602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC=C2C3CCCCC3)C(=O)C=CC4=CC=CC=C4.Cl

Isomeric SMILES

CC1CN(CCN1C2=CC=CC=C2C3CCCCC3)C(=O)/C=C/C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H32N2O.ClH/c1-21-20-27(26(29)17-16-22-10-4-2-5-11-22)18-19-28(21)25-15-9-8-14-24(25)23-12-6-3-7-13-23;/h2,4-5,8-11,14-17,21,23H,3,6-7,12-13,18-20H2,1H3;1H/b17-16+;