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

Systemtic Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]ethyl]pyrazole-3-carboxamide Openeye Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-(2-thienyl)prop-2-enoyl]-4-piperidyl]ethyl]pyrazole-3-carboxamide CAS Name: N,1-dimethyl-N-[1-[1-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-4-piperidinyl]-2-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]ethyl]pyrazole-3-carboxamide Traditional Name: N,1-dimethyl-N-[2-phenyl-1-[1-[(E)-3-(2-thienyl)acryloyl]-4-piperidyl]ethyl]pyrazole-3-carboxamide Formula: C26H30N4O2S MolecularWeight: 462.607

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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=CC=CS4

Isomeric SMILES

CN1C=CC(=N1)C(=O)N(C)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C26H30N4O2S/c1-28-15-14-23(27-28)26(32)29(2)24(19-20-7-4-3-5-8-20)21-12-16-30(17-13-21)25(31)11-10-22-9-6-18-33-22/h3-11,14-15,18,21,24H,12-13,16-17,19H2,1-2H3/b11-10+