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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-2-phenyl-thiazole-5-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methyl-2-phenyl-5-thiazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-2-phenyl-thiazole-5-carboxamide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C27H27N5OS/c1-19-25(34-27(28-19)20-10-5-4-6-11-20)26(33)29-22-13-9-12-21(18-22)23-14-15-24(31-30-23)32-16-7-2-3-8-17-32/h4-6,9-15,18H,2-3,7-8,16-17H2,1H3,(H,29,33)