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

Systemtic Name: 3-oxidanyl-2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[4-(4-phenylbutyl)-1-piperazinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-[4-(4-phenylbutyl)piperazino]ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=CC=C2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=CC=C2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C28H33N3O2/c32-27-24-13-6-11-23-12-7-14-25(26(23)24)28(33)31(27)21-20-30-18-16-29(17-19-30)15-5-4-10-22-8-2-1-3-9-22/h1-3,6-9,11-14,27,32H,4-5,10,15-21H2