1-(4-morpholin-4-yl-3-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(4-morpholin-4-yl-3-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-morpholino-3-nitro-phenyl)propan-1-one dihydrochloride CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(4-morpholino-3-nitro-phenyl)propan-1-one dihydrochloride Formula: C24H32Cl2N4O4 MolecularWeight: 511.44128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H30N4O4.2ClH/c29-24(8-9-25-10-12-26(13-11-25)19-20-4-2-1-3-5-20)21-6-7-22(23(18-21)28(30)31)27-14-16-32-17-15-27;;/h1-7,18H,8-17,19H2;2*1H