5,6-dimethyl-3-oxidanylidene-2-(2-oxidanyl-3-phenylmethoxy-propyl)pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-(2-oxidanyl-3-phenylmethoxy-propyl)pyridazine-4-carbonitrile Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-(3-benzoxy-2-hydroxy-propyl)-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(COCC2=CC=CC=C2)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(COCC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C17H19N3O3/c1-12-13(2)19-20(17(22)16(12)8-18)9-15(21)11-23-10-14-6-4-3-5-7-14/h3-7,15,21H,9-11H2,1-2H3