2-[2,6-bis(bromanyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile

Systemtic Name: 2-[2,6-bis(bromanyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-dibromophenyl)pentanenitrile CAS Name: 2-cyclopentyl-2-(2,6-dibromophenyl)-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-dibromophenyl)pentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-dibromophenyl)valeronitrile Formula: C26H32Br2N2 MolecularWeight: 532.35368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCCC1)C2=C(C=CC=C2Br)Br)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCCC1)C2=C(C=CC=C2Br)Br)CC3=CC=CC=C3

InChI

InChI=1S/C26H32Br2N2/c1-2-17-30(19-21-10-4-3-5-11-21)18-9-16-26(20-29,22-12-6-7-13-22)25-23(27)14-8-15-24(25)28/h3-5,8,10-11,14-15,22H,2,6-7,9,12-13,16-19H2,1H3