[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: [4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-(2-chloro-4-nitrophenyl)methanone IUPAC Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-(2-chloro-4-nitro-phenyl)methanone Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN6O3/c22-18-15-16(28(30)31)5-6-17(18)21(29)27-13-11-26(12-14-27)20-8-7-19(23-24-20)25-9-3-1-2-4-10-25/h5-8,15H,1-4,9-14H2