1-(2-aminophenyl)-6,7-dimethoxy-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-aminophenyl)-6,7-dimethoxy-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-aminophenyl)-6,7-dimethoxy-4-[2-(1-piperidyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-aminophenyl)-6,7-dimethoxy-4-[2-(1-piperidinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-aminophenyl)-6,7-dimethoxy-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-aminophenyl)-6,7-dimethoxy-4-(2-piperidinoethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(=O)C(C2=C1)CCN3CCCCC3)C4=CC=CC=C4N)OC

Isomeric SMILES

COC1=C(C=C2C(NC(=O)C(C2=C1)CCN3CCCCC3)C4=CC=CC=C4N)OC

InChI

InChI=1S/C24H31N3O3/c1-29-21-14-18-16(10-13-27-11-6-3-7-12-27)24(28)26-23(19(18)15-22(21)30-2)17-8-4-5-9-20(17)25/h4-5,8-9,14-16,23H,3,6-7,10-13,25H2,1-2H3,(H,26,28)