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

Systemtic Name: 3-phenyl-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]prop-2-yn-1-one Openeye Name: 1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 3-phenyl-1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]-2-propyn-1-one IUPAC Name: 3-phenyl-1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]prop-2-yn-1-one Traditional Name: 1-[(3S)-3-cumidinopiperidino]-3-phenyl-prop-2-yn-1-one Formula: C23H26N2O MolecularWeight: 346.46534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O/c1-18(2)20-11-13-21(14-12-20)24-22-9-6-16-25(17-22)23(26)15-10-19-7-4-3-5-8-19/h3-5,7-8,11-14,18,22,24H,6,9,16-17H2,1-2H3/t22-/m0/s1