1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-3-phenyl-prop-2-yn-1-one Formula: C22H24N2O MolecularWeight: 332.43876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C#CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O/c1-17-10-12-20(15-18(17)2)23-21-9-6-14-24(16-21)22(25)13-11-19-7-4-3-5-8-19/h3-5,7-8,10,12,15,21,23H,6,9,14,16H2,1-2H3/t21-/m0/s1