2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one CAS Name: 2-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one IUPAC Name: 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Traditional Name: 2-[2-[4-(2-chlorophenyl)piperazino]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1CCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H24ClN3O2/c25-20-9-1-2-10-21(20)27-14-11-26(12-15-27)13-16-28-23(29)18-7-3-5-17-6-4-8-19(22(17)18)24(28)30/h1-10,23,29H,11-16H2