5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclohexyl-pentanenitrile

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclohexyl-pentanenitrile Openeye Name: 2-(4-bromophenyl)-2-cyclohexyl-5-(dibenzylamino)pentanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclohexylpentanenitrile IUPAC Name: 2-(4-bromophenyl)-2-cyclohexyl-5-(dibenzylamino)pentanenitrile Traditional Name: 2-(4-bromophenyl)-2-cyclohexyl-5-(dibenzylamino)valeronitrile Formula: C31H35BrN2 MolecularWeight: 515.527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCCN(CC2=CC=CC=C2)CC3=CC=CC=C3)(C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)C(CCCN(CC2=CC=CC=C2)CC3=CC=CC=C3)(C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H35BrN2/c32-30-19-17-29(18-20-30)31(25-33,28-15-8-3-9-16-28)21-10-22-34(23-26-11-4-1-5-12-26)24-27-13-6-2-7-14-27/h1-2,4-7,11-14,17-20,28H,3,8-10,15-16,21-24H2