2-[(4-bromophenyl)amino]-2-(3-butyl-3H-inden-1-yl)ethanenitrile

Systemtic Name: 2-[(4-bromophenyl)amino]-2-(3-butyl-3H-inden-1-yl)ethanenitrile Openeye Name: 2-(4-bromoanilino)-2-(3-butyl-3H-inden-1-yl)acetonitrile CAS Name: 2-(4-bromoanilino)-2-(3-butyl-3H-inden-1-yl)acetonitrile IUPAC Name: 2-(4-bromoanilino)-2-(3-butyl-3H-inden-1-yl)acetonitrile Traditional Name: 2-(4-bromoanilino)-2-(3-butyl-3H-inden-1-yl)acetonitrile Formula: C21H21BrN2 MolecularWeight: 381.30884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(C2=CC=CC=C12)C(C#N)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1C=C(C2=CC=CC=C12)C(C#N)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2/c1-2-3-6-15-13-20(19-8-5-4-7-18(15)19)21(14-23)24-17-11-9-16(22)10-12-17/h4-5,7-13,15,21,24H,2-3,6H2,1H3