N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c1-2-21-8-10-23(11-9-21)20-31-25(14-17-28-31)29-27(33)24-15-18-30(19-16-24)26(32)13-12-22-6-4-3-5-7-22/h3-14,17,24H,2,15-16,18-20H2,1H3,(H,29,33)/b13-12+