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

Systemtic Name: 4-azanyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one Openeye Name: 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]isoindolin-1-one CAS Name: 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: 4-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one Traditional Name: 4-amino-2-homoveratryl-isoindolin-1-one Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3N)OC

InChI

InChI=1S/C18H20N2O3/c1-22-16-7-6-12(10-17(16)23-2)8-9-20-11-14-13(18(20)21)4-3-5-15(14)19/h3-7,10H,8-9,11,19H2,1-2H3