1-cyano-N-[2,6-di(propan-2-yl)phenyl]pyrrolo[2,1-a]isoquinoline-3-carboxamide

Systemtic Name: 1-cyano-N-[2,6-di(propan-2-yl)phenyl]pyrrolo[2,1-a]isoquinoline-3-carboxamide Openeye Name: 1-cyano-N-(2,6-diisopropylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide CAS Name: 1-cyano-N-[2,6-di(propan-2-yl)phenyl]-3-pyrrolo[2,1-a]isoquinolinecarboxamide IUPAC Name: 1-cyano-N-[2,6-di(propan-2-yl)phenyl]pyrrolo[2,1-a]isoquinoline-3-carboxamide Traditional Name: 1-cyano-N-(2,6-diisopropylphenyl)pyrrol[2,1-a]isoquinoline-3-carboxamide Formula: C26H25N3O MolecularWeight: 395.4962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O/c1-16(2)20-10-7-11-21(17(3)4)24(20)28-26(30)23-14-19(15-27)25-22-9-6-5-8-18(22)12-13-29(23)25/h5-14,16-17H,1-4H3,(H,28,30)