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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]isonipecotamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H26N6O2/c1-15(28)26-12-9-16(10-13-26)21(29)24-11-5-8-19-18(14-22)20(23)27(25-19)17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-13,23H2,1H3,(H,24,29)