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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(4-phenoxyphenyl)pyrrole-3-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-phenoxyphenyl)pyrrole-3-carbonitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-(4-phenoxyphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-phenoxyphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-phenoxyphenyl)pyrrole-3-carbonitrile Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CN3C4=CC=C(C=C4)OC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CN3C4=CC=C(C=C4)OC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H21N3O2/c28-18-21-15-17-30(23-10-12-25(13-11-23)32-24-8-2-1-3-9-24)26(21)27(31)29-16-14-20-6-4-5-7-22(20)19-29/h1-13,15,17H,14,16,19H2