1-(2-azanyl-6-chloranyl-phenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-azanyl-6-chloranyl-phenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-amino-6-chloro-phenyl)-4-[2-(1-piperidyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-amino-6-chlorophenyl)-4-[2-(1-piperidinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-amino-6-chlorophenyl)-4-(2-piperidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-amino-6-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=C4Cl)N

Isomeric SMILES

C1CCN(CC1)CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC=C4Cl)N

InChI

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