6-methyl-1-(2-nitrophenyl)-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonyl-pyridazin-4-one Openeye Name: 6-methyl-1-(2-nitrophenyl)-3-[4-(3-thienylmethyl)piperazine-1-carbonyl]pyridazin-4-one CAS Name: 6-methyl-1-(2-nitrophenyl)-3-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-4-pyridazinone IUPAC Name: 6-methyl-1-(2-nitrophenyl)-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]pyridazin-4-one Traditional Name: 6-methyl-1-(2-nitrophenyl)-3-[4-(3-thenyl)piperazine-1-carbonyl]pyridazin-4-one Formula: C21H21N5O4S MolecularWeight: 439.48754

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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)CC4=CSC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H21N5O4S/c1-15-12-19(27)20(22-25(15)17-4-2-3-5-18(17)26(29)30)21(28)24-9-7-23(8-10-24)13-16-6-11-31-14-16/h2-6,11-12,14H,7-10,13H2,1H3