3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile

Systemtic Name: 3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile Openeye Name: 3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile CAS Name: 3,4-bis(hydroxymethyl)-1-(1-pyrrolyl)-2,4-dihydro-1H-phthalazine-6-carbonitrile IUPAC Name: 3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile Traditional Name: 3,4-dimethylol-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2C3=C(C=C(C=C3)C#N)C(N(N2)CO)CO

Isomeric SMILES

C1=CN(C=C1)C2C3=C(C=C(C=C3)C#N)C(N(N2)CO)CO

InChI

InChI=1S/C15H16N4O2/c16-8-11-3-4-12-13(7-11)14(9-20)19(10-21)17-15(12)18-5-1-2-6-18/h1-7,14-15,17,20-21H,9-10H2