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

Systemtic Name: 1-(3-nitro-4-piperidin-1-yl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-[3-nitro-4-(1-piperidyl)phenyl]propan-1-one dihydrochloride CAS Name: 1-[3-nitro-4-(1-piperidinyl)phenyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(3-nitro-4-piperidin-1-ylphenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(3-nitro-4-piperidino-phenyl)propan-1-one dihydrochloride Formula: C25H34Cl2N4O3 MolecularWeight: 509.46846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C25H32N4O3.2ClH/c30-25(11-14-26-15-17-27(18-16-26)20-21-7-3-1-4-8-21)22-9-10-23(24(19-22)29(31)32)28-12-5-2-6-13-28;;/h1,3-4,7-10,19H,2,5-6,11-18,20H2;2*1H