1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]ethanone Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CC(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CC(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C22H22N2O4/c1-26-19-8-7-16(11-21(19)27-2)20-12-18(23-28-20)13-22(25)24-10-9-15-5-3-4-6-17(15)14-24/h3-8,11-12H,9-10,13-14H2,1-2H3