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

Systemtic Name: 3-oxidanyl-2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[4-(3-phenylpropyl)-1-piperazinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-[4-(3-phenylpropyl)piperazino]ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C27H31N3O2/c31-26-23-12-4-10-22-11-5-13-24(25(22)23)27(32)30(26)20-19-29-17-15-28(16-18-29)14-6-9-21-7-2-1-3-8-21/h1-5,7-8,10-13,26,31H,6,9,14-20H2