N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-cyano-ethanamide

Systemtic Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-cyano-ethanamide Openeye Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-cyano-acetamide CAS Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-cyanoacetamide IUPAC Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide Traditional Name: N-[(E)-[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-cyano-acetamide Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CC#N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)CC#N)C

InChI

InChI=1S/C20H24N4O/c1-4-5-6-17-7-9-19(10-8-17)24-15(2)13-18(16(24)3)14-22-23-20(25)11-12-21/h7-10,13-14H,4-6,11H2,1-3H3,(H,23,25)/b22-14+