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

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclobutyl-hexanenitrile Openeye Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)hexanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclobutylhexanenitrile IUPAC Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)hexanenitrile Traditional Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)hexanenitrile Formula: C30H33BrN2 MolecularWeight: 501.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C#N)(C1CCC1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC(C#N)(C1CCC1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H33BrN2/c1-24(33(21-25-9-4-2-5-10-25)22-26-11-6-3-7-12-26)19-20-30(23-32,27-13-8-14-27)28-15-17-29(31)18-16-28/h2-7,9-12,15-18,24,27H,8,13-14,19-22H2,1H3