N-(2-ethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethoxyphenyl)-4-[6-oxo-1-(p-tolyl)pyridazin-3-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-keto-1-(p-tolyl)pyridazin-3-yl]-N-o-phenetyl-1,4-diazepane-1-carboxamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N5O3/c1-3-33-22-8-5-4-7-21(22)26-25(32)29-16-6-15-28(17-18-29)23-13-14-24(31)30(27-23)20-11-9-19(2)10-12-20/h4-5,7-14H,3,6,15-18H2,1-2H3,(H,26,32)