N-[4-(4-methylphenyl)piperazin-1-yl]-4-morpholin-4-yl-3-nitro-benzamide hydrochloride

Systemtic Name: N-[4-(4-methylphenyl)piperazin-1-yl]-4-morpholin-4-yl-3-nitro-benzamide hydrochloride Openeye Name: 4-morpholino-3-nitro-N-[4-(p-tolyl)piperazin-1-yl]benzamide hydrochloride CAS Name: N-[4-(4-methylphenyl)-1-piperazinyl]-4-(4-morpholinyl)-3-nitrobenzamide hydrochloride IUPAC Name: N-[4-(4-methylphenyl)piperazin-1-yl]-4-morpholin-4-yl-3-nitrobenzamide hydrochloride Traditional Name: 4-morpholino-3-nitro-N-[4-(p-tolyl)piperazino]benzamide hydrochloride Formula: C22H28ClN5O4 MolecularWeight: 461.94182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H27N5O4.ClH/c1-17-2-5-19(6-3-17)24-8-10-26(11-9-24)23-22(28)18-4-7-20(21(16-18)27(29)30)25-12-14-31-15-13-25;/h2-7,16H,8-15H2,1H3,(H,23,28);1H