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

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-4-methylbenzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H22N6O3/c1-13-6-8-14(9-7-13)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)