N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]isoquinoline-3-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]isoquinoline-3-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]isoquinoline-3-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)isoquinoline-3-carboxamide Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=N2)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=N2)C#N

InChI

InChI=1S/C22H21N3O2/c1-22(2,3)14-27-20-9-8-18(10-17(20)12-23)25-21(26)19-11-15-6-4-5-7-16(15)13-24-19/h4-11,13H,14H2,1-3H3,(H,25,26)