N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]ethyl]pyrazole-3-carboxamide

Systemtic Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-(3-pyridyl)prop-2-enoyl]-4-piperidyl]ethyl]pyrazole-3-carboxamide CAS Name: N,1-dimethyl-N-[1-[1-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-4-piperidinyl]-2-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-(3-pyridyl)acryloyl]-4-piperidyl]ethyl]pyrazole-3-carboxamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)N(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C=CC4=CN=CC=C4

Isomeric SMILES

CN1C=CC(=N1)C(=O)N(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C27H31N5O2/c1-30-16-14-24(29-30)27(34)31(2)25(19-21-7-4-3-5-8-21)23-12-17-32(18-13-23)26(33)11-10-22-9-6-15-28-20-22/h3-11,14-16,20,23,25H,12-13,17-19H2,1-2H3/b11-10+