(2R,3R,3aS,6aR)-2-methyl-2-nitro-3-phenyl-6a-piperidin-1-yl-3a,4,5,6-tetrahydro-3H-pentalen-1-one

Systemtic Name: (2R,3R,3aS,6aR)-2-methyl-2-nitro-3-phenyl-6a-piperidin-1-yl-3a,4,5,6-tetrahydro-3H-pentalen-1-one Openeye Name: (2R,3R,3aS,6aR)-2-methyl-2-nitro-3-phenyl-6a-(1-piperidyl)-3a,4,5,6-tetrahydro-3H-pentalen-1-one CAS Name: (2R,3R,3aS,6aR)-2-methyl-2-nitro-3-phenyl-6a-(1-piperidinyl)-3a,4,5,6-tetrahydro-3H-pentalen-1-one IUPAC Name: (2R,3R,3aS,6aR)-2-methyl-2-nitro-3-phenyl-6a-piperidin-1-yl-3a,4,5,6-tetrahydro-3H-pentalen-1-one Traditional Name: (2R,3R,3aS,6aR)-2-methyl-2-nitro-3-phenyl-6a-piperidino-3a,4,5,6-tetrahydro-3H-pentalen-1-one Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2CCCC2(C1=O)N3CCCCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@]1([C@H]([C@@H]2CCC[C@@]2(C1=O)N3CCCCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O3/c1-19(22(24)25)17(15-9-4-2-5-10-15)16-11-8-12-20(16,18(19)23)21-13-6-3-7-14-21/h2,4-5,9-10,16-17H,3,6-8,11-14H2,1H3/t16-,17-,19+,20+/m0/s1