(E)-3-(4-chlorophenyl)-3-oxidanyl-1-[1-(phenylmethyl)piperidin-3-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-chlorophenyl)-3-oxidanyl-1-[1-(phenylmethyl)piperidin-3-yl]prop-2-en-1-one Openeye Name: (E)-1-(1-benzyl-3-piperidyl)-3-(4-chlorophenyl)-3-hydroxy-prop-2-en-1-one CAS Name: (E)-3-(4-chlorophenyl)-3-hydroxy-1-[1-(phenylmethyl)-3-piperidinyl]-2-propen-1-one IUPAC Name: (E)-1-(1-benzylpiperidin-3-yl)-3-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one Traditional Name: (E)-1-(1-benzyl-3-piperidyl)-3-(4-chlorophenyl)-3-hydroxy-prop-2-en-1-one Formula: C21H22ClNO2 MolecularWeight: 355.85788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)C=C(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)/C=C(\C3=CC=C(C=C3)Cl)/O

InChI

InChI=1S/C21H22ClNO2/c22-19-10-8-17(9-11-19)20(24)13-21(25)18-7-4-12-23(15-18)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18,24H,4,7,12,14-15H2/b20-13+