3-[[5-(2,3-dimethylphenoxy)-3-oxidanylidene-2-phenyl-pyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[[5-(2,3-dimethylphenoxy)-3-oxidanylidene-2-phenyl-pyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[[5-(2,3-dimethylphenoxy)-3-oxo-2-phenyl-pyridazin-4-yl]amino]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[5-(2,3-dimethylphenoxy)-3-oxo-2-phenyl-4-pyridazinyl]amino]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[[5-(2,3-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[5-(2,3-dimethylphenoxy)-3-keto-2-phenyl-pyridazin-4-yl]amino]-N-(4-pyridylmethyl)benzamide Formula: C31H27N5O3 MolecularWeight: 517.57778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)NCC5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=C(C(=O)N(N=C2)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)NCC5=CC=NC=C5)C

InChI

InChI=1S/C31H27N5O3/c1-21-8-6-13-27(22(21)2)39-28-20-34-36(26-11-4-3-5-12-26)31(38)29(28)35-25-10-7-9-24(18-25)30(37)33-19-23-14-16-32-17-15-23/h3-18,20,35H,19H2,1-2H3,(H,33,37)