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

Systemtic Name: 2-[2-[4-(3-ethylphenyl)-4-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 2-[2-[4-(3-ethylphenyl)-4-hydroxy-1-piperidyl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one CAS Name: 2-[2-[4-(3-ethylphenyl)-4-hydroxy-1-piperidinyl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one IUPAC Name: 2-[2-[4-(3-ethylphenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Traditional Name: 2-[2-[4-(3-ethylphenyl)-4-hydroxy-piperidino]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2(CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O)O

Isomeric SMILES

CCC1=CC=CC(=C1)C2(CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O)O

InChI

InChI=1S/C27H30N2O3/c1-2-19-6-3-9-21(18-19)27(32)12-14-28(15-13-27)16-17-29-25(30)22-10-4-7-20-8-5-11-23(24(20)22)26(29)31/h3-11,18,25,30,32H,2,12-17H2,1H3