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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCC1)C2=CC(=C(C=C2)Br)Br)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCC1)C2=CC(=C(C=C2)Br)Br)CC3=CC=CC=C3

InChI

InChI=1S/C25H30Br2N2/c1-2-15-29(18-20-8-4-3-5-9-20)16-7-14-25(19-28,21-10-6-11-21)22-12-13-23(26)24(27)17-22/h3-5,8-9,12-13,17,21H,2,6-7,10-11,14-16,18H2,1H3