2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethoxy-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethoxy-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-[2-(1-imidazolyl)ethyl-methylamino]propyl]-5,6-dimethoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethoxy-3,4-dihydroisocarbostyril Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=C(C1=O)C=CC(=C2OC)OC)CCN3C=CN=C3

Isomeric SMILES

CN(CCCN1CCC2=C(C1=O)C=CC(=C2OC)OC)CCN3C=CN=C3

InChI

InChI=1S/C20H28N4O3/c1-22(13-14-23-12-8-21-15-23)9-4-10-24-11-7-16-17(20(24)25)5-6-18(26-2)19(16)27-3/h5-6,8,12,15H,4,7,9-11,13-14H2,1-3H3