4-butoxy-6-[(2-methylpropan-2-yl)oxy]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 4-butoxy-6-[(2-methylpropan-2-yl)oxy]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 6-tert-butoxy-4-butoxy-2-isobutyl-1-oxo-isoquinoline-3-carbonitrile CAS Name: 4-butoxy-6-[(2-methylpropan-2-yl)oxy]-2-(2-methylpropyl)-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 4-butoxy-6-[(2-methylpropan-2-yl)oxy]-2-(2-methylpropyl)-1-oxoisoquinoline-3-carbonitrile Traditional Name: 6-tert-butoxy-4-butoxy-2-isobutyl-1-keto-isoquinoline-3-carbonitrile Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC(C)(C)C)CC(C)C)C#N

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC(C)(C)C)CC(C)C)C#N

InChI

InChI=1S/C22H30N2O3/c1-7-8-11-26-20-18-12-16(27-22(4,5)6)9-10-17(18)21(25)24(14-15(2)3)19(20)13-23/h9-10,12,15H,7-8,11,14H2,1-6H3