3-tert-butyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-6-carbonitrile

Systemtic Name: 3-tert-butyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-6-carbonitrile Openeye Name: 3-tert-butyl-2-methyl-1-oxo-4-phenyl-isoquinoline-6-carbonitrile CAS Name: 3-tert-butyl-2-methyl-1-oxo-4-phenyl-6-isoquinolinecarbonitrile IUPAC Name: 3-tert-butyl-2-methyl-1-oxo-4-phenylisoquinoline-6-carbonitrile Traditional Name: 3-tert-butyl-1-keto-2-methyl-4-phenyl-isoquinoline-6-carbonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C=CC(=C2)C#N)C(=O)N1C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C=CC(=C2)C#N)C(=O)N1C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O/c1-21(2,3)19-18(15-8-6-5-7-9-15)17-12-14(13-22)10-11-16(17)20(24)23(19)4/h5-12H,1-4H3