2-[3,4-bis(bromanyl)phenyl]-2-cyclohexyl-5-[methyl-(phenylmethyl)amino]pentanenitrile

Systemtic Name: 2-[3,4-bis(bromanyl)phenyl]-2-cyclohexyl-5-[methyl-(phenylmethyl)amino]pentanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-(3,4-dibromophenyl)pentanenitrile CAS Name: 2-cyclohexyl-2-(3,4-dibromophenyl)-5-[methyl-(phenylmethyl)amino]pentanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-(3,4-dibromophenyl)pentanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-(3,4-dibromophenyl)valeronitrile Formula: C25H30Br2N2 MolecularWeight: 518.3271

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(C#N)(C1CCCCC1)C2=CC(=C(C=C2)Br)Br)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCC(C#N)(C1CCCCC1)C2=CC(=C(C=C2)Br)Br)CC3=CC=CC=C3

InChI

InChI=1S/C25H30Br2N2/c1-29(18-20-9-4-2-5-10-20)16-8-15-25(19-28,21-11-6-3-7-12-21)22-13-14-23(26)24(27)17-22/h2,4-5,9-10,13-14,17,21H,3,6-8,11-12,15-16,18H2,1H3