N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-benzyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-benzyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-benzyl-6-keto-pyridazine-3-carboxamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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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)C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5S/c1-34-23-13-11-20(35(32,33)28-15-7-2-3-8-16-28)17-22(23)26-25(31)21-12-14-24(30)29(27-21)18-19-9-5-4-6-10-19/h4-6,9-14,17H,2-3,7-8,15-16,18H2,1H3,(H,26,31)