4-phenyl-1-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-piperidine-4-carbonitrile

Systemtic Name: 4-phenyl-1-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-(1-phenyl-5-propyl-pyrazole-4-carbonyl)piperidine-4-carbonitrile CAS Name: 1-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-(1-phenyl-5-propylpyrazole-4-carbonyl)piperidine-4-carbonitrile Traditional Name: 4-phenyl-1-(1-phenyl-5-propyl-pyrazole-4-carbonyl)isonipecotonitrile Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O/c1-2-9-23-22(18-27-29(23)21-12-7-4-8-13-21)24(30)28-16-14-25(19-26,15-17-28)20-10-5-3-6-11-20/h3-8,10-13,18H,2,9,14-17H2,1H3