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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(C#N)(C1CCCC1)C2=CC(=C(C=C2)Br)Br)CCC3=CC=CC=C3

Isomeric SMILES

CN(CCCC(C#N)(C1CCCC1)C2=CC(=C(C=C2)Br)Br)CCC3=CC=CC=C3

InChI

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