N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-4-methoxybenzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide Formula: C18H22N6O4 MolecularWeight: 386.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H22N6O4/c1-28-14-8-6-13(7-9-14)18(25)22-21-16-15(24(26)27)17(20-12-19-16)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,22,25)(H,19,20,21)