3-(benzotriazol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one

Systemtic Name: 3-(benzotriazol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one Openeye Name: 3-(benzotriazol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]isoindolin-1-one CAS Name: 3-(1-benzotriazolyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: 3-(benzotriazol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one Traditional Name: 3-(benzotriazol-1-yl)-2-homoveratryl-isoindolin-1-one Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C24H22N4O3/c1-30-21-12-11-16(15-22(21)31-2)13-14-27-23(17-7-3-4-8-18(17)24(27)29)28-20-10-6-5-9-19(20)25-26-28/h3-12,15,23H,13-14H2,1-2H3