1-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]isonipecotamide Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)F

InChI

InChI=1S/C23H25FN2O3/c1-29-21-9-7-17(15-20(21)24)8-10-22(27)26-13-11-19(12-14-26)23(28)25-16-18-5-3-2-4-6-18/h2-10,15,19H,11-14,16H2,1H3,(H,25,28)/b10-8+