3-(3-naphthalen-2-yl-4-piperidin-1-ylcarbonyl-pyrazol-1-yl)propanenitrile

Systemtic Name: 3-(3-naphthalen-2-yl-4-piperidin-1-ylcarbonyl-pyrazol-1-yl)propanenitrile Openeye Name: 3-[3-(2-naphthyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(2-naphthalenyl)-4-[oxo(1-piperidinyl)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-naphthalen-2-yl-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(2-naphthyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propionitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=CC=CC=C4C=C3)CCC#N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=CC=CC=C4C=C3)CCC#N

InChI

InChI=1S/C22H22N4O/c23-11-6-14-26-16-20(22(27)25-12-4-1-5-13-25)21(24-26)19-10-9-17-7-2-3-8-18(17)15-19/h2-3,7-10,15-16H,1,4-6,12-14H2