N-(1-phenylpropyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide

Systemtic Name: N-(1-phenylpropyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide Openeye Name: N-(1-phenylpropyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide CAS Name: N-(1-phenylpropyl)-1-[[1-[4-(trifluoromethyl)phenyl]-3-pyrrolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1-phenylpropyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide Traditional Name: N-(1-phenylpropyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]isonipecotamide Formula: C27H30F3N3O MolecularWeight: 469.54181

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)CC3=CN(C=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)CC3=CN(C=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C27H30F3N3O/c1-2-25(21-6-4-3-5-7-21)31-26(34)22-13-15-32(16-14-22)18-20-12-17-33(19-20)24-10-8-23(9-11-24)27(28,29)30/h3-12,17,19,22,25H,2,13-16,18H2,1H3,(H,31,34)