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

Systemtic Name: 2-(3-butyl-3H-inden-1-yl)-2-[(4-chlorophenyl)amino]ethanenitrile Openeye Name: 2-(3-butyl-3H-inden-1-yl)-2-(4-chloroanilino)acetonitrile CAS Name: 2-(3-butyl-3H-inden-1-yl)-2-(4-chloroanilino)acetonitrile IUPAC Name: 2-(3-butyl-3H-inden-1-yl)-2-(4-chloroanilino)acetonitrile Traditional Name: 2-(3-butyl-3H-inden-1-yl)-2-(4-chloroanilino)acetonitrile Formula: C21H21ClN2 MolecularWeight: 336.85784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2/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