[4-(azepan-1-yl)-3-nitro-phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2R,6R)-2,6-dimethyl-1-piperidyl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[(2R,6R)-2,6-dimethyl-1-piperidinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[(2R,6R)-2,6-dimethylpiperidino]methanone Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H29N3O3/c1-15-8-7-9-16(2)22(15)20(24)17-10-11-18(19(14-17)23(25)26)21-12-5-3-4-6-13-21/h10-11,14-16H,3-9,12-13H2,1-2H3/t15-,16-/m1/s1