4-chloranyl-5-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(6-methyl-3-pyridinyl)-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(6-methylnicotinoyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-15-7-8-16(13-23-15)20(28)26-11-9-25(10-12-26)18-14-24-27(21(29)19(18)22)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3