1-[3-(1-hydroxyethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carbonitrile

Systemtic Name: 1-[3-(1-hydroxyethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(1-hydroxyethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[[3-(1-hydroxyethoxy)phenyl]-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(1-hydroxyethoxy)benzoyl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(1-hydroxyethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C#N

Isomeric SMILES

CC(O)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C#N

InChI

InChI=1S/C21H18N2O5/c1-12(24)28-15-6-4-5-13(7-15)21(25)20-17-9-19(27-3)18(26-2)8-16(17)14(10-22)11-23-20/h4-9,11-12,24H,1-3H3