3-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chlorophenyl)prop-2-enenitrile

Systemtic Name: 3-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chlorophenyl)prop-2-enenitrile Openeye Name: 3-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chlorophenyl)prop-2-enenitrile CAS Name: 3-[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-chlorophenyl)-2-propenenitrile IUPAC Name: 3-[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-chlorophenyl)prop-2-enenitrile Traditional Name: 3-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-chlorophenyl)acrylonitrile Formula: C25H25ClN2 MolecularWeight: 388.9324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C25H25ClN2/c1-4-5-8-20-11-13-23(14-12-20)28-18(2)15-21(19(28)3)16-22(17-27)24-9-6-7-10-25(24)26/h6-7,9-16H,4-5,8H2,1-3H3