3-[3-(3,4-dimethylphenyl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(3,4-dimethylphenyl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3,4-dimethylphenyl)-4-[oxo(1-piperidinyl)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propionitrile Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCCC3)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCCCC3)CCC#N)C

InChI

InChI=1S/C20H24N4O/c1-15-7-8-17(13-16(15)2)19-18(14-24(22-19)12-6-9-21)20(25)23-10-4-3-5-11-23/h7-8,13-14H,3-6,10-12H2,1-2H3