2,2-bis(methoxymethyl)-3-oxidanyl-3-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]amino]-4H-chromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-3-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]amino]-4H-chromene-6-carbonitrile Openeye Name: 3-[(1-benzyl-6-oxo-pyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-3-[[6-oxo-1-(phenylmethyl)-3-pyridazinyl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-[(1-benzyl-6-oxopyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromene-6-carbonitrile Traditional Name: 3-[(1-benzyl-6-keto-pyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN(C(=O)C=C3)CC4=CC=CC=C4)O)COC

Isomeric SMILES

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN(C(=O)C=C3)CC4=CC=CC=C4)O)COC

InChI

InChI=1S/C25H26N4O5/c1-32-16-24(17-33-2)25(31,13-20-12-19(14-26)8-9-21(20)34-24)27-22-10-11-23(30)29(28-22)15-18-6-4-3-5-7-18/h3-12,31H,13,15-17H2,1-2H3,(H,27,28)