2-[4-[4-(3-ethylphenyl)-4-oxidanyl-piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-[4-(3-ethylphenyl)-4-oxidanyl-piperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(3-ethylphenyl)-4-hydroxy-1-piperidyl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(3-ethylphenyl)-4-hydroxy-1-piperidinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(3-ethylphenyl)-4-hydroxypiperidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(3-ethylphenyl)-4-hydroxy-piperidino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2(CCN(CC2)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

CCC1=CC=CC(=C1)C2(CCN(CC2)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C29H32N2O3/c1-2-21-8-5-11-23(20-21)29(34)14-18-30(19-15-29)16-3-4-17-31-27(32)24-12-6-9-22-10-7-13-25(26(22)24)28(31)33/h5-13,20,34H,2-4,14-19H2,1H3