2-(3-chloranyl-4-methoxy-phenyl)-6,7-diethoxy-1-(4-ethylphenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-6,7-diethoxy-1-(4-ethylphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-6,7-diethoxy-1-(4-ethylphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 2-(3-chloro-4-methoxyphenyl)-6,7-diethoxy-1-(4-ethylphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-6,7-diethoxy-1-(4-ethylphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-6,7-diethoxy-1-(4-ethylphenyl)-1,4-dihydroisoquinolin-3-one Formula: C28H30ClNO4 MolecularWeight: 479.9951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC(=C(C=C4)OC)Cl)OCC)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC(=C(C=C4)OC)Cl)OCC)OCC

InChI

InChI=1S/C28H30ClNO4/c1-5-18-8-10-19(11-9-18)28-22-17-26(34-7-3)25(33-6-2)14-20(22)15-27(31)30(28)21-12-13-24(32-4)23(29)16-21/h8-14,16-17,28H,5-7,15H2,1-4H3