N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=NC(=CS3)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=NC(=CS3)CN4CCCCCC4

InChI

InChI=1S/C23H29N5O2S/c1-16-7-8-17(2)20(13-16)28-21(29)10-9-19(26-28)22(30)25-23-24-18(15-31-23)14-27-11-5-3-4-6-12-27/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,24,25,30)