[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[6-(cyclohexoxy)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(6-cyclohexyloxy-3-pyridazinyl)-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-[6-(cyclohexoxy)pyridazin-3-yl]piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4CCCCC4

InChI

InChI=1S/C22H27N5O4/c1-16-18(8-5-9-19(16)27(29)30)22(28)26-14-12-25(13-15-26)20-10-11-21(24-23-20)31-17-6-3-2-4-7-17/h5,8-11,17H,2-4,6-7,12-15H2,1H3