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

Systemtic Name: 1-(3-aminophenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(3-aminophenyl)-4-[2-(1-piperidyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(3-aminophenyl)-4-[2-(1-piperidinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(3-aminophenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(3-aminophenyl)-4-(2-piperidinoethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C22H27N3O MolecularWeight: 349.46928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC(=CC=C4)N

Isomeric SMILES

C1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C22H27N3O/c23-17-8-6-7-16(15-17)21-19-10-3-2-9-18(19)20(22(26)24-21)11-14-25-12-4-1-5-13-25/h2-3,6-10,15,20-21H,1,4-5,11-14,23H2,(H,24,26)