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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(2,4-dimethylphenyl)pyrrole-3-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethylphenyl)pyrrole-3-carbonitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-(2,4-dimethylphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethylphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethylphenyl)pyrrole-3-carbonitrile Formula: C23H21N3O MolecularWeight: 355.43234

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c1-16-7-8-21(17(2)13-16)26-12-10-19(14-24)22(26)23(27)25-11-9-18-5-3-4-6-20(18)15-25/h3-8,10,12-13H,9,11,15H2,1-2H3