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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O2/c29-20-24-25(32-34(27(24)30)23-10-5-2-6-11-23)12-7-17-31-28(36)22-15-18-33(19-16-22)26(35)14-13-21-8-3-1-4-9-21/h1-6,8-11,13-14,22H,7,12,15-19,30H2,(H,31,36)/b14-13+