2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanenitrile

Systemtic Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-1-[(3-sec-butoxyphenyl)methyl]-4-isoquinolyl]acetonitrile CAS Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-1-(3-sec-butoxybenzyl)-4-isoquinolyl]acetonitrile Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

InChI

InChI=1S/C24H26N2O3/c1-5-16(2)29-19-8-6-7-17(11-19)12-22-21-14-24(28-4)23(27-3)13-20(21)18(9-10-25)15-26-22/h6-8,11,13-16H,5,9,12H2,1-4H3