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

Systemtic Name: [(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone Openeye Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidyl]-(5-isopropyl-1H-pyrazol-3-yl)methanone CAS Name: [(3S)-3-(3,4-dimethylanilino)-1-piperidinyl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone IUPAC Name: [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone Traditional Name: [(3S)-3-(3,4-dimethylanilino)piperidino]-(5-isopropyl-1H-pyrazol-3-yl)methanone 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)C3=NNC(=C3)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-13(2)18-11-19(23-22-18)20(25)24-9-5-6-17(12-24)21-16-8-7-14(3)15(4)10-16/h7-8,10-11,13,17,21H,5-6,9,12H2,1-4H3,(H,22,23)/t17-/m0/s1