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

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-(dibenzylamino)-2-isopropyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-(dibenzylamino)-2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-(dibenzylamino)-2-isopropyl-2-[4-(trifluoromethyl)phenyl]enanthonitrile Formula: C31H35F3N2 MolecularWeight: 492.61821

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1=CC=C(C=C1)C(F)(F)F)C(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1=CC=C(C=C1)C(F)(F)F)C(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H35F3N2/c1-4-29(36(21-25-11-7-5-8-12-25)22-26-13-9-6-10-14-26)19-20-30(23-35,24(2)3)27-15-17-28(18-16-27)31(32,33)34/h5-18,24,29H,4,19-22H2,1-3H3