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

Systemtic Name: 1-(4-tert-butylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrrole-3-carbonitrile Openeye Name: 1-(4-tert-butylphenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrole-3-carbonitrile CAS Name: 1-(4-tert-butylphenyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(4-tert-butylphenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrole-3-carbonitrile Traditional Name: 1-(4-tert-butylphenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrole-3-carbonitrile Formula: C25H25N3O MolecularWeight: 383.4855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O/c1-25(2,3)21-8-10-22(11-9-21)28-15-13-19(16-26)23(28)24(29)27-14-12-18-6-4-5-7-20(18)17-27/h4-11,13,15H,12,14,17H2,1-3H3