4-chloranyl-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN6O3/c19-13-9-7-12(8-10-13)18(26)24-23-17-15(25(27)28)16(20-11-21-17)22-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,24,26)(H2,20,21,22,23)