3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinoline-4-carbonitrile

Systemtic Name: 3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinoline-4-carbonitrile Openeye Name: 3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-4-carbonitrile CAS Name: 3-[[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]methyl]-4-quinolinecarbonitrile IUPAC Name: 3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-4-carbonitrile Traditional Name: 3-[(2-p-toluoylpyrrol-1-yl)methyl]cinchoninonitrile Formula: C23H17N3O MolecularWeight: 351.40058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=C(C4=CC=CC=C4N=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=C(C4=CC=CC=C4N=C3)C#N

InChI

InChI=1S/C23H17N3O/c1-16-8-10-17(11-9-16)23(27)22-7-4-12-26(22)15-18-14-25-21-6-3-2-5-19(21)20(18)13-24/h2-12,14H,15H2,1H3