(E)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one hydrochloride

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one hydrochloride Openeye Name: (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one hydrochloride CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazinyl]-3-(4-methoxyphenyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one hydrochloride Traditional Name: (E)-1-(4-benzhydrylpiperazino)-3-(4-methoxyphenyl)prop-2-en-1-one hydrochloride Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H28N2O2.ClH/c1-31-25-15-12-22(13-16-25)14-17-26(30)28-18-20-29(21-19-28)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24;/h2-17,27H,18-21H2,1H3;1H/b17-14+;