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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H27N5O4.ClH/c28-22(23-26-10-8-24(9-11-26)17-18-4-2-1-3-5-18)19-6-7-20(21(16-19)27(29)30)25-12-14-31-15-13-25;/h1-7,16H,8-15,17H2,(H,23,28);1H