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

Systemtic Name: N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(6-methoxypyridin-3-yl)benzamide Openeye Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(6-methoxy-3-pyridyl)benzamide CAS Name: N-[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylphenyl]-4-(6-methoxy-3-pyridinyl)benzamide IUPAC Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide Traditional Name: N-[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(6-methoxy-3-pyridyl)benzamide Formula: C29H29ClN6O3 MolecularWeight: 545.03196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CN=C(C=C3)OC)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CN=C(C=C3)OC)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

InChI

InChI=1S/C29H29ClN6O3/c1-19-23(18-36-29(38)27(30)25(17-33-36)35-14-12-31-13-15-35)4-3-5-24(19)34-28(37)21-8-6-20(7-9-21)22-10-11-26(39-2)32-16-22/h3-11,16-17,31H,12-15,18H2,1-2H3,(H,34,37)