4-[[1-(cyclopropylmethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[1-(cyclopropylmethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[[1-(cyclopropylmethyl)-6-oxo-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 4-[[1-(cyclopropylmethyl)-6-oxo-3-pyridazinyl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[[1-(cyclopropylmethyl)-6-oxopyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[[1-(cyclopropylmethyl)-6-keto-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C22H26N4O5 MolecularWeight: 426.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CC4CC4)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CC4CC4)O)COC

InChI

InChI=1S/C22H26N4O5/c1-29-12-22(13-30-2)21(28)20(16-9-15(10-23)5-6-17(16)31-22)24-18-7-8-19(27)26(25-18)11-14-3-4-14/h5-9,14,20-21,28H,3-4,11-13H2,1-2H3,(H,24,25)