1-cyano-N-(2,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide

Systemtic Name: 1-cyano-N-(2,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide Openeye Name: 1-cyano-N-(2,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide CAS Name: 1-cyano-N-(2,5-dimethylphenyl)-3-pyrrolo[2,1-a]isoquinolinecarboxamide IUPAC Name: 1-cyano-N-(2,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide Traditional Name: 1-cyano-N-(2,5-dimethylphenyl)pyrrol[2,1-a]isoquinoline-3-carboxamide Formula: C22H17N3O MolecularWeight: 339.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H17N3O/c1-14-7-8-15(2)19(11-14)24-22(26)20-12-17(13-23)21-18-6-4-3-5-16(18)9-10-25(20)21/h3-12H,1-2H3,(H,24,26)