4-[(6-chloranylpyridazin-3-yl)-(2-morpholin-4-ylethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[(6-chloranylpyridazin-3-yl)-(2-morpholin-4-ylethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[(6-chloropyridazin-3-yl)-(2-morpholinoethyl)amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[(6-chloro-3-pyridazinyl)-[2-(4-morpholinyl)ethyl]amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[(6-chloropyridazin-3-yl)-(2-morpholin-4-ylethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[(6-chloropyridazin-3-yl)-(2-morpholinoethyl)amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCN3CCOCC3)C4=NN=C(C=C4)Cl)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCN3CCOCC3)C4=NN=C(C=C4)Cl)O)C

InChI

InChI=1S/C22H26ClN5O3/c1-22(2)21(29)20(16-13-15(14-24)3-4-17(16)31-22)28(19-6-5-18(23)25-26-19)8-7-27-9-11-30-12-10-27/h3-6,13,20-21,29H,7-12H2,1-2H3