N-[1-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[(E)-3-(4-tert-butylphenyl)acryloyl]-4-piperidyl]-4-fluoro-benzamide Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O2/c1-25(2,3)20-9-4-18(5-10-20)6-13-23(29)28-16-14-22(15-17-28)27-24(30)19-7-11-21(26)12-8-19/h4-13,22H,14-17H2,1-3H3,(H,27,30)/b13-6+