3-(4-fluoranyl-3-methyl-phenyl)-N-(phenylmethyl)-5-(4-prop-2-enylpiperazin-1-yl)carbonyl-piperidine-1-carboxamide

Systemtic Name: 3-(4-fluoranyl-3-methyl-phenyl)-N-(phenylmethyl)-5-(4-prop-2-enylpiperazin-1-yl)carbonyl-piperidine-1-carboxamide Openeye Name: 3-(4-allylpiperazine-1-carbonyl)-N-benzyl-5-(4-fluoro-3-methyl-phenyl)piperidine-1-carboxamide CAS Name: 3-(4-fluoro-3-methylphenyl)-5-[oxo-(4-prop-2-enyl-1-piperazinyl)methyl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: N-benzyl-3-(4-fluoro-3-methylphenyl)-5-(4-prop-2-enylpiperazine-1-carbonyl)piperidine-1-carboxamide Traditional Name: 3-(4-allylpiperazine-1-carbonyl)-N-benzyl-5-(4-fluoro-3-methyl-phenyl)piperidine-1-carboxamide Formula: C28H35FN4O2 MolecularWeight: 478.601503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CC(CN(C2)C(=O)NCC3=CC=CC=C3)C(=O)N4CCN(CC4)CC=C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CC(CN(C2)C(=O)NCC3=CC=CC=C3)C(=O)N4CCN(CC4)CC=C)F

InChI

InChI=1S/C28H35FN4O2/c1-3-11-31-12-14-32(15-13-31)27(34)25-17-24(23-9-10-26(29)21(2)16-23)19-33(20-25)28(35)30-18-22-7-5-4-6-8-22/h3-10,16,24-25H,1,11-15,17-20H2,2H3,(H,30,35)