1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-3-(5-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-3-(5-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[(3S)-3-(3,4-dimethylanilino)piperidino]-3-(5-methylpyrazol-1-yl)propan-1-one Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCN3C(=CC=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCN3C(=CC=N3)C)C

InChI

InChI=1S/C20H28N4O/c1-15-6-7-18(13-16(15)2)22-19-5-4-11-23(14-19)20(25)9-12-24-17(3)8-10-21-24/h6-8,10,13,19,22H,4-5,9,11-12,14H2,1-3H3/t19-/m0/s1