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

Systemtic Name: 4-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide dihydrochloride Openeye Name: 4-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide dihydrochloride CAS Name: 4-(1-azepanyl)-N-[3-(1-imidazolyl)propyl]-3-nitrobenzamide dihydrochloride IUPAC Name: 4-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide dihydrochloride Traditional Name: 4-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide dihydrochloride Formula: C19H27Cl2N5O3 MolecularWeight: 444.35538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C19H25N5O3.2ClH/c25-19(21-8-5-10-22-13-9-20-15-22)16-6-7-17(18(14-16)24(26)27)23-11-3-1-2-4-12-23;;/h6-7,9,13-15H,1-5,8,10-12H2,(H,21,25);2*1H