2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(4-methylphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(4-methylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(p-tolyl)pyrrole-3-carbonitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-(4-methylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(p-tolyl)pyrrole-3-carbonitrile Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C22H19N3O/c1-16-6-8-20(9-7-16)25-13-11-18(14-23)21(25)22(26)24-12-10-17-4-2-3-5-19(17)15-24/h2-9,11,13H,10,12,15H2,1H3