3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-6-methyl-1-(2-nitrophenyl)pyridazin-4-one

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-6-methyl-1-(2-nitrophenyl)-4-pyridazinone IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21N5O4S/c1-15-14-20(30)22(26-28(15)18-7-3-4-8-19(18)29(32)33)24(31)27-12-10-16(11-13-27)23-25-17-6-2-5-9-21(17)34-23/h2-9,14,16H,10-13H2,1H3