1-(2-azanyl-5-chloranyl-phenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-azanyl-5-chloranyl-phenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-amino-5-chloro-phenyl)-4-[2-(1-piperidyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-amino-5-chlorophenyl)-4-[2-(1-piperidinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-amino-5-chlorophenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-amino-5-chloro-phenyl)-4-(2-piperidinoethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O/c23-15-8-9-20(24)19(14-15)21-17-7-3-2-6-16(17)18(22(27)25-21)10-13-26-11-4-1-5-12-26/h2-3,6-9,14,18,21H,1,4-5,10-13,24H2,(H,25,27)