2-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine

Systemtic Name: 2-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine Openeye Name: 2-[(2,2-dimethyl-5-nitro-3H-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine CAS Name: 2-[(2,2-dimethyl-5-nitro-3H-benzofuran-7-yl)methyl]-2-phenyl-1-piperidinamine IUPAC Name: 2-[(2,2-dimethyl-5-nitro-3H-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine Traditional Name: [2-[(2,2-dimethyl-5-nitro-coumaran-7-yl)methyl]-2-phenyl-piperidino]amine Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=CC(=C2O1)CC3(CCCCN3N)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=CC(=CC(=C2O1)CC3(CCCCN3N)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O3/c1-21(2)14-16-12-19(25(26)27)13-17(20(16)28-21)15-22(10-6-7-11-24(22)23)18-8-4-3-5-9-18/h3-5,8-9,12-13H,6-7,10-11,14-15,23H2,1-2H3