N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-1-[(4-methylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-p-toluoyl-nipecotamide Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C27H30N6O2/c1-19-11-13-20(14-12-19)27(35)32-16-6-7-21(18-32)26(34)30-15-5-10-24-23(17-28)25(29)33(31-24)22-8-3-2-4-9-22/h2-4,8-9,11-14,21H,5-7,10,15-16,18,29H2,1H3,(H,30,34)