N-[3-(azepan-1-ylcarbonyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]phenyl]-2-[3-(3-methoxyphenyl)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide Traditional Name: N-[3-(azepane-1-carbonyl)phenyl]-2-[6-keto-3-(3-methoxyphenyl)pyridazin-1-yl]acetamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H28N4O4/c1-34-22-11-7-8-19(17-22)23-12-13-25(32)30(28-23)18-24(31)27-21-10-6-9-20(16-21)26(33)29-14-4-2-3-5-15-29/h6-13,16-17H,2-5,14-15,18H2,1H3,(H,27,31)