N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethyl-thiazole-5-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2,4-dimethyl-5-thiazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dimethyl-thiazole-5-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H25N5OS/c1-15-21(29-16(2)23-15)22(28)24-18-9-7-8-17(14-18)19-10-11-20(26-25-19)27-12-5-3-4-6-13-27/h7-11,14H,3-6,12-13H2,1-2H3,(H,24,28)