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

Systemtic Name: 1-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrrole-3-carbonitrile Openeye Name: 1-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrole-3-carbonitrile CAS Name: 1-(3-bromophenyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrole-3-carbonitrile Traditional Name: 1-(3-bromophenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrole-3-carbonitrile Formula: C21H16BrN3O MolecularWeight: 406.27524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O/c22-18-6-3-7-19(12-18)25-11-9-16(13-23)20(25)21(26)24-10-8-15-4-1-2-5-17(15)14-24/h1-7,9,11-12H,8,10,14H2