2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile Openeye Name: 2-(4-benzylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile CAS Name: 2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-[3-(trifluoromethyl)phenyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile Traditional Name: 2-(4-benzylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbonitrile Formula: C25H22F3N3O MolecularWeight: 437.45689

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C25H22F3N3O/c26-25(27,28)21-7-4-8-22(16-21)31-14-11-20(17-29)23(31)24(32)30-12-9-19(10-13-30)15-18-5-2-1-3-6-18/h1-8,11,14,16,19H,9-10,12-13,15H2