2-(3,4-dichlorophenyl)-5-[(phenylmethyl)-propyl-amino]-2-propan-2-yl-hexanenitrile

Systemtic Name: 2-(3,4-dichlorophenyl)-5-[(phenylmethyl)-propyl-amino]-2-propan-2-yl-hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-(3,4-dichlorophenyl)-2-isopropyl-hexanenitrile CAS Name: 2-(3,4-dichlorophenyl)-5-[(phenylmethyl)-propylamino]-2-propan-2-ylhexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-(3,4-dichlorophenyl)-2-propan-2-ylhexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-(3,4-dichlorophenyl)-2-isopropyl-hexanenitrile Formula: C25H32Cl2N2 MolecularWeight: 431.44098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2=CC(=C(C=C2)Cl)Cl)C(C)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2=CC(=C(C=C2)Cl)Cl)C(C)C

InChI

InChI=1S/C25H32Cl2N2/c1-5-15-29(17-21-9-7-6-8-10-21)20(4)13-14-25(18-28,19(2)3)22-11-12-23(26)24(27)16-22/h6-12,16,19-20H,5,13-15,17H2,1-4H3