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

Systemtic Name: (3S,4R)-2,2-bis(methoxymethyl)-3-oxidanyl-4-[[6-oxidanylidene-1-(phenylcarbonyl)pyridazin-3-yl]amino]-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-4-[(1-benzoyl-6-oxo-pyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: (3S,4R)-4-[(1-benzoyl-6-oxo-3-pyridazinyl)amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-4-[(1-benzoyl-6-oxopyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-4-[(1-benzoyl-6-keto-pyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C25H24N4O6 MolecularWeight: 476.48126

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)C(=O)C4=CC=CC=C4)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)C(=O)C4=CC=CC=C4)O)COC

InChI

InChI=1S/C25H24N4O6/c1-33-14-25(15-34-2)23(31)22(18-12-16(13-26)8-9-19(18)35-25)27-20-10-11-21(30)29(28-20)24(32)17-6-4-3-5-7-17/h3-12,22-23,31H,14-15H2,1-2H3,(H,27,28)/t22-,23+/m1/s1