6-cyclohexyloxy-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 6-cyclohexyloxy-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 6-(cyclohexoxy)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 6-cyclohexyloxy-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 6-cyclohexyloxy-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 6-(cyclohexoxy)-2-isobutyl-1-keto-4-phenyl-isoquinoline-3-carbonitrile Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OC3CCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OC3CCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H28N2O2/c1-18(2)17-28-24(16-27)25(19-9-5-3-6-10-19)23-15-21(13-14-22(23)26(28)29)30-20-11-7-4-8-12-20/h3,5-6,9-10,13-15,18,20H,4,7-8,11-12,17H2,1-2H3