2-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one

Systemtic Name: 2-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one Openeye Name: 2-[[1-[(3-nitrophenyl)methyl]-4-piperidyl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one CAS Name: 2-[[1-[(3-nitrophenyl)methyl]-4-piperidinyl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one IUPAC Name: 2-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one Traditional Name: 2-[[1-(3-nitrobenzyl)-4-piperidyl]methyl]-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(=O)C3=C2C(=CC=C3)C1)CC4CCN(CC4)CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2C(C(=O)C3=C2C(=CC=C3)C1)CC4CCN(CC4)CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O3/c28-25-22-9-3-6-19-5-2-8-21(24(19)22)23(25)15-17-10-12-26(13-11-17)16-18-4-1-7-20(14-18)27(29)30/h1,3-4,6-7,9,14,17,21,23H,2,5,8,10-13,15-16H2