[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: (3-nitrophenyl)-[4-[6-(p-tolyl)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: [4-[6-(4-methylphenyl)-3-pyridazinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: (3-nitrophenyl)-[4-[6-(p-tolyl)pyridazin-3-yl]piperazino]methanone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-16-5-7-17(8-6-16)20-9-10-21(24-23-20)25-11-13-26(14-12-25)22(28)18-3-2-4-19(15-18)27(29)30/h2-10,15H,11-14H2,1H3