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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCCC(C2)NC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC[C@@H](C2)NC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C21H30N4O/c1-5-7-18-13-20(24(4)23-18)21(26)25-11-6-8-19(14-25)22-17-10-9-15(2)16(3)12-17/h9-10,12-13,19,22H,5-8,11,14H2,1-4H3/t19-/m0/s1