4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-oxo-1-phenyl-pyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-oxo-1-phenyl-3-pyridazinyl)-N-(3,4,5-trimethoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-oxo-1-phenylpyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-keto-1-phenyl-pyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O5/c1-33-20-16-18(17-21(34-2)24(20)35-3)26-25(32)29-13-7-12-28(14-15-29)22-10-11-23(31)30(27-22)19-8-5-4-6-9-19/h4-6,8-11,16-17H,7,12-15H2,1-3H3,(H,26,32)