5-[bis(phenylmethyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 2-cyclopropyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 2-cyclopropyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 2-cyclopropyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]enanthonitrile Formula: C31H33F3N2 MolecularWeight: 490.60233

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H33F3N2/c1-2-29(36(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25)19-20-30(23-35,26-13-14-26)27-15-17-28(18-16-27)31(32,33)34/h3-12,15-18,26,29H,2,13-14,19-22H2,1H3