2-[6,7-dimethoxy-2-(4-methoxycyclohexyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-2-(4-methoxycyclohexyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-(4-methoxycyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-[(4-methoxycyclohexyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-(4-methoxycyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-2-(4-methoxycyclohexanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

Isomeric SMILES

COC1CCC(CC1)C(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

InChI

InChI=1S/C21H28N2O4/c1-25-16-6-4-14(5-7-16)21(24)23-11-9-15-12-19(26-2)20(27-3)13-17(15)18(23)8-10-22/h12-14,16,18H,4-9,11H2,1-3H3