4-(4-methylphenyl)carbonyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one hydrochloride

Systemtic Name: 4-(4-methylphenyl)carbonyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one hydrochloride Openeye Name: 4-(4-methylbenzoyl)-1-[4-[3-(1-piperidyl)propoxy]phenyl]piperazin-2-one hydrochloride CAS Name: 4-[(4-methylphenyl)-oxomethyl]-1-[4-[3-(1-piperidinyl)propoxy]phenyl]-2-piperazinone hydrochloride IUPAC Name: 4-(4-methylbenzoyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one hydrochloride Traditional Name: 1-[4-(3-piperidinopropoxy)phenyl]-4-p-toluoyl-piperazin-2-one hydrochloride Formula: C26H34ClN3O3 MolecularWeight: 472.01946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OCCCN4CCCCC4.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OCCCN4CCCCC4.Cl

InChI

InChI=1S/C26H33N3O3.ClH/c1-21-6-8-22(9-7-21)26(31)28-17-18-29(25(30)20-28)23-10-12-24(13-11-23)32-19-5-16-27-14-3-2-4-15-27;/h6-13H,2-5,14-20H2,1H3;1H