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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

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