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6,7-diethoxy-2-(4-ethylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one

6,7-diethoxy-2-(4-ethylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name:6,7-diethoxy-2-(4-ethylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one
Openeye Name:6,7-diethoxy-2-(4-ethylphenyl)-1-(m-tolyl)-1,4-dihydroisoquinolin-3-one
CAS Name:6,7-diethoxy-2-(4-ethylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one
IUPAC Name:6,7-diethoxy-2-(4-ethylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one
Traditional Name:6,7-diethoxy-2-(4-ethylphenyl)-1-(m-tolyl)-1,4-dihydroisoquinolin-3-one
Formula: C28H31NO3
MolecularWeight: 429.55064
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(C3=CC(=C(C=C3CC2=O)OCC)OCC)C4=CC(=CC=C4)C


Isomeric SMILES

CCC1=CC=C(C=C1)N2C(C3=CC(=C(C=C3CC2=O)OCC)OCC)C4=CC(=CC=C4)C


InChI

InChI=1S/C28H31NO3/c1-5-20-11-13-23(14-12-20)29-27(30)17-22-16-25(31-6-2)26(32-7-3)18-24(22)28(29)21-10-8-9-19(4)15-21/h8-16,18,28H,5-7,17H2,1-4H3


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