1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-3-(1H-pyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-3-(1H-pyrazol-4-yl)-1-propanone IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-3-(1H-pyrazol-4-yl)propan-1-one Formula: C19H26N4O MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCC3=CNN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCC3=CNN=C3)C

InChI

InChI=1S/C19H26N4O/c1-14-5-7-17(10-15(14)2)22-18-4-3-9-23(13-18)19(24)8-6-16-11-20-21-12-16/h5,7,10-12,18,22H,3-4,6,8-9,13H2,1-2H3,(H,20,21)/t18-/m0/s1