N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylphenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]pyridine-3-carboxamide Traditional Name: N-[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]nicotinamide Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CN=CC=C2)CN3C(=O)C(=C(C=N3)N4CCNCC4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CN=CC=C2)CN3C(=O)C(=C(C=N3)N4CCNCC4)Cl

InChI

InChI=1S/C22H23ClN6O2/c1-15-17(4-2-6-18(15)27-21(30)16-5-3-7-25-12-16)14-29-22(31)20(23)19(13-26-29)28-10-8-24-9-11-28/h2-7,12-13,24H,8-11,14H2,1H3,(H,27,30)