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

Systemtic Name: 2-[(4-chlorophenyl)amino]-2-(3-pentyl-3H-inden-1-yl)ethanenitrile Openeye Name: 2-(4-chloroanilino)-2-(3-pentyl-3H-inden-1-yl)acetonitrile CAS Name: 2-(4-chloroanilino)-2-(3-pentyl-3H-inden-1-yl)acetonitrile IUPAC Name: 2-(4-chloroanilino)-2-(3-pentyl-3H-inden-1-yl)acetonitrile Traditional Name: 2-(3-amyl-3H-inden-1-yl)-2-(4-chloroanilino)acetonitrile Formula: C22H23ClN2 MolecularWeight: 350.88442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=C(C2=CC=CC=C12)C(C#N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCC1C=C(C2=CC=CC=C12)C(C#N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2/c1-2-3-4-7-16-14-21(20-9-6-5-8-19(16)20)22(15-24)25-18-12-10-17(23)11-13-18/h5-6,8-14,16,22,25H,2-4,7H2,1H3