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

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclopentyl-hexanenitrile Openeye Name: 2-(4-bromophenyl)-2-cyclopentyl-5-(dibenzylamino)hexanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclopentylhexanenitrile IUPAC Name: 2-(4-bromophenyl)-2-cyclopentyl-5-(dibenzylamino)hexanenitrile Traditional Name: 2-(4-bromophenyl)-2-cyclopentyl-5-(dibenzylamino)hexanenitrile Formula: C31H35BrN2 MolecularWeight: 515.527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C#N)(C1CCCC1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(CCC(C#N)(C1CCCC1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H35BrN2/c1-25(34(22-26-10-4-2-5-11-26)23-27-12-6-3-7-13-27)20-21-31(24-33,28-14-8-9-15-28)29-16-18-30(32)19-17-29/h2-7,10-13,16-19,25,28H,8-9,14-15,20-23H2,1H3