N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxamide Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O5S/c1-33-22-13-11-19(34(31,32)27-15-7-2-3-8-16-27)17-21(22)25-24(30)20-12-14-23(29)28(26-20)18-9-5-4-6-10-18/h4-6,9-11,13,17H,2-3,7-8,12,14-16H2,1H3,(H,25,30)