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

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 2-cyclopropyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-cyclopropyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 2-cyclopropyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 2-cyclopropyl-5-(dibenzylamino)-2-[4-(trifluoromethyl)phenyl]hexanenitrile Formula: C30H31F3N2 MolecularWeight: 476.57575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C30H31F3N2/c1-23(35(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25)18-19-29(22-34,26-12-13-26)27-14-16-28(17-15-27)30(31,32)33/h2-11,14-17,23,26H,12-13,18-21H2,1H3