[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(4-pyrazol-1-ylphenyl)methanone Formula: C23H26N4O MolecularWeight: 374.47874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C23H26N4O/c1-17-6-9-20(15-18(17)2)25-21-5-3-13-26(16-21)23(28)19-7-10-22(11-8-19)27-14-4-12-24-27/h4,6-12,14-15,21,25H,3,5,13,16H2,1-2H3/t21-/m0/s1