N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(2-phenoxyethanoyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(2-phenoxyethanoyl)piperidine-4-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-1-(1-oxo-2-phenoxyethyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(2-phenoxyacetyl)isonipecotamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O3/c28-18-23-24(31-33(26(23)29)21-8-3-1-4-9-21)12-7-15-30-27(35)20-13-16-32(17-14-20)25(34)19-36-22-10-5-2-6-11-22/h1-6,8-11,20H,7,12-17,19,29H2,(H,30,35)