N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide

Systemtic Name: N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide Openeye Name: N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide CAS Name: N'-[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-methoxybenzohydrazide IUPAC Name: N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide Traditional Name: N'-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-2-methoxy-benzohydrazide Formula: C22H22ClN7O4 MolecularWeight: 483.90758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN7O4/c1-34-18-8-3-2-7-17(18)22(31)27-26-20-19(30(32)33)21(25-14-24-20)29-11-9-28(10-12-29)16-6-4-5-15(23)13-16/h2-8,13-14H,9-12H2,1H3,(H,27,31)(H,24,25,26)