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

Systemtic Name: N-[3-[(5-chloranyl-6-oxidanylidene-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-thiophen-2-yl-benzamide Openeye Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-yl-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(2-thienyl)benzamide CAS Name: N-[3-[[5-chloro-6-oxo-4-(1-piperazinyl)-1-pyridazinyl]methyl]-2-methylphenyl]-4-thiophen-2-ylbenzamide IUPAC Name: N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-thiophen-2-ylbenzamide Traditional Name: N-[3-[(5-chloro-6-keto-4-piperazino-pyridazin-1-yl)methyl]-2-methyl-phenyl]-4-(2-thienyl)benzamide Formula: C27H26ClN5O2S MolecularWeight: 520.04564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CS3)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C3=CC=CS3)CN4C(=O)C(=C(C=N4)N5CCNCC5)Cl

InChI

InChI=1S/C27H26ClN5O2S/c1-18-21(17-33-27(35)25(28)23(16-30-33)32-13-11-29-12-14-32)4-2-5-22(18)31-26(34)20-9-7-19(8-10-20)24-6-3-15-36-24/h2-10,15-16,29H,11-14,17H2,1H3,(H,31,34)