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

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclobutyl-pentanenitrile Openeye Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)pentanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclobutylpentanenitrile IUPAC Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)pentanenitrile Traditional Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)valeronitrile Formula: C29H31BrN2 MolecularWeight: 487.47384

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C29H31BrN2/c30-28-17-15-27(16-18-28)29(23-31,26-13-7-14-26)19-8-20-32(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