N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-benzyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-benzyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-benzyl-6-keto-pyridazine-3-carboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N4O4S/c1-19-11-12-21(17-23(19)34(32,33)28-15-7-2-3-8-16-28)26-25(31)22-13-14-24(30)29(27-22)18-20-9-5-4-6-10-20/h4-6,9-14,17H,2-3,7-8,15-16,18H2,1H3,(H,26,31)