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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-(6-phenoxy-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-(6-phenoxypyridazin-3-yl)piperazino]methanone Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c1-16-7-8-17(15-19(16)27(29)30)22(28)26-13-11-25(12-14-26)20-9-10-21(24-23-20)31-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3