2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[4-(6-nitro-3-pyridyl)piperazino]propan-1-one Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N6O3/c1-19(23(30)28-11-9-25(10-12-28)18-20-5-3-2-4-6-20)26-13-15-27(16-14-26)21-7-8-22(24-17-21)29(31)32/h2-8,17,19H,9-16,18H2,1H3