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

Systemtic Name: 2-[2-[4-(3-methylphenyl)piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[4-(m-tolyl)-1-piperidyl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[4-(3-methylphenyl)-1-piperidinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[4-(3-methylphenyl)piperidin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-[4-(m-tolyl)piperidino]ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C26H28N2O2/c1-18-5-2-8-21(17-18)19-11-13-27(14-12-19)15-16-28-25(29)22-9-3-6-20-7-4-10-23(24(20)22)26(28)30/h2-10,17,19,25,29H,11-16H2,1H3