[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(2-methyl-5-propan-2-yl-pyrazol-3-yl)methanone

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(2-methyl-5-propan-2-yl-pyrazol-3-yl)methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(5-isopropyl-2-methyl-pyrazol-3-yl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-(2-methyl-5-propan-2-yl-3-pyrazolyl)methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-5-propan-2-ylpyrazol-3-yl)methanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(5-isopropyl-2-methyl-pyrazol-3-yl)methanone Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=CC(=NN3C)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=CC(=NN3C)C(C)C)C

InChI

InChI=1S/C21H30N4O/c1-14(2)19-12-20(24(5)23-19)21(26)25-10-6-7-18(13-25)22-17-9-8-15(3)16(4)11-17/h8-9,11-12,14,18,22H,6-7,10,13H2,1-5H3/t18-/m0/s1