4-(azepan-1-yl)-N-(4-methylpiperazin-1-yl)-3-nitro-benzamide dihydrochloride

Systemtic Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-1-yl)-3-nitro-benzamide dihydrochloride Openeye Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-1-yl)-3-nitro-benzamide dihydrochloride CAS Name: 4-(1-azepanyl)-N-(4-methyl-1-piperazinyl)-3-nitrobenzamide dihydrochloride IUPAC Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide dihydrochloride Traditional Name: 4-(azepan-1-yl)-N-(4-methylpiperazino)-3-nitro-benzamide dihydrochloride Formula: C18H29Cl2N5O3 MolecularWeight: 434.36056

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C18H27N5O3.2ClH/c1-20-10-12-22(13-11-20)19-18(24)15-6-7-16(17(14-15)23(25)26)21-8-4-2-3-5-9-21;;/h6-7,14H,2-5,8-13H2,1H3,(H,19,24);2*1H