(2S)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]propan-1-one CAS Name: (2S)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-nitropyridin-3-yl)oxypropan-1-one Traditional Name: (2S)-1-(4-benzylpiperazino)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]propan-1-one Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-15-8-9-18(19(21-15)24(26)27)28-16(2)20(25)23-12-10-22(11-13-23)14-17-6-4-3-5-7-17/h3-9,16H,10-14H2,1-2H3/t16-/m0/s1