1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C30H31N5O2 MolecularWeight: 493.59944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H31N5O2/c1-21-10-11-25(17-22(21)2)28-27(20-35(33-28)26-8-4-3-5-9-26)30(37)34-15-12-24(13-16-34)29(36)32-19-23-7-6-14-31-18-23/h3-11,14,17-18,20,24H,12-13,15-16,19H2,1-2H3,(H,32,36)