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

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclobutyl-heptanenitrile Openeye Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)heptanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclobutylheptanenitrile IUPAC Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)heptanenitrile Traditional Name: 2-(4-bromophenyl)-2-cyclobutyl-5-(dibenzylamino)enanthonitrile Formula: C31H35BrN2 MolecularWeight: 515.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35BrN2/c1-2-30(34(22-25-10-5-3-6-11-25)23-26-12-7-4-8-13-26)20-21-31(24-33,27-14-9-15-27)28-16-18-29(32)19-17-28/h3-8,10-13,16-19,27,30H,2,9,14-15,20-23H2,1H3