2-methoxy-5-nitro-N-[4-(phenylmethyl)piperazin-1-yl]benzamide dihydrochloride

Systemtic Name: 2-methoxy-5-nitro-N-[4-(phenylmethyl)piperazin-1-yl]benzamide dihydrochloride Openeye Name: N-(4-benzylpiperazin-1-yl)-2-methoxy-5-nitro-benzamide dihydrochloride CAS Name: 2-methoxy-5-nitro-N-[4-(phenylmethyl)-1-piperazinyl]benzamide dihydrochloride IUPAC Name: N-(4-benzylpiperazin-1-yl)-2-methoxy-5-nitrobenzamide dihydrochloride Traditional Name: N-(4-benzylpiperazino)-2-methoxy-5-nitro-benzamide dihydrochloride Formula: C19H24Cl2N4O4 MolecularWeight: 443.32426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C19H22N4O4.2ClH/c1-27-18-8-7-16(23(25)26)13-17(18)19(24)20-22-11-9-21(10-12-22)14-15-5-3-2-4-6-15;;/h2-8,13H,9-12,14H2,1H3,(H,20,24);2*1H