3-methyl-2-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-benzohydrazide

Systemtic Name: 3-methyl-2-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-benzohydrazide Openeye Name: 2-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-3-methyl-benzohydrazide CAS Name: 3-methyl-2-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzohydrazide IUPAC Name: 2-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-3-methylbenzohydrazide Traditional Name: 2-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-3-methyl-benzohydrazide Formula: C23H25N7O4 MolecularWeight: 463.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)C(=O)NN

Isomeric SMILES

CC1=CC=CC(=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)C(=O)NN

InChI

InChI=1S/C23H25N7O4/c1-16-6-5-9-18(22(31)27-24)20(16)34-23-19(30(32)33)21(25-15-26-23)29-12-10-28(11-13-29)14-17-7-3-2-4-8-17/h2-9,15H,10-14,24H2,1H3,(H,27,31)