1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[3-[homoveratryl(methyl)amino]piperidino]-3-phenyl-prop-2-yn-1-one Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3/c1-26(17-15-21-11-13-23(29-2)24(18-21)30-3)22-10-7-16-27(19-22)25(28)14-12-20-8-5-4-6-9-20/h4-6,8-9,11,13,18,22H,7,10,15-17,19H2,1-3H3