azepan-1-yl-[1-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[2-(dimethylamino)-5-nitro-benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[2-(dimethylamino)-5-nitrobenzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[2-(dimethylamino)-5-nitro-benzoyl]-4-piperidyl]methanone Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N4O4/c1-22(2)19-8-7-17(25(28)29)15-18(19)21(27)24-13-9-16(10-14-24)20(26)23-11-5-3-4-6-12-23/h7-8,15-16H,3-6,9-14H2,1-2H3