6-methyl-1-(2-nitrophenyl)-3-(4-phenylpiperazin-1-yl)carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-3-(4-phenylpiperazin-1-yl)carbonyl-pyridazin-4-one Openeye Name: 6-methyl-1-(2-nitrophenyl)-3-(4-phenylpiperazine-1-carbonyl)pyridazin-4-one CAS Name: 6-methyl-1-(2-nitrophenyl)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-4-pyridazinone IUPAC Name: 6-methyl-1-(2-nitrophenyl)-3-(4-phenylpiperazine-1-carbonyl)pyridazin-4-one Traditional Name: 6-methyl-1-(2-nitrophenyl)-3-(4-phenylpiperazine-1-carbonyl)pyridazin-4-one Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

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