5-[bis(phenylmethyl)amino]-2-cyclobutyl-2-[4-(trifluoromethyl)phenyl]pentanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(CCCN(CC2=CC=CC=C2)CC3=CC=CC=C3)(C#N)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CC(C1)C(CCCN(CC2=CC=CC=C2)CC3=CC=CC=C3)(C#N)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C30H31F3N2/c31-30(32,33)28-17-15-27(16-18-28)29(23-34,26-13-7-14-26)19-8-20-35(21-24-9-3-1-4-10-24)22-25-11-5-2-6-12-25/h1-6,9-12,15-18,26H,7-8,13-14,19-22H2