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

Systemtic Name: 3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile hydrochloride Openeye Name: 3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile hydrochloride CAS Name: 3,4-bis(hydroxymethyl)-1-(1-pyrrolyl)-2,4-dihydro-1H-phthalazine-6-carbonitrile hydrochloride IUPAC Name: 3,4-bis(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile hydrochloride Traditional Name: 3,4-dimethylol-1-pyrrol-1-yl-2,4-dihydro-1H-phthalazine-6-carbonitrile hydrochloride Formula: C15H17ClN4O2 MolecularWeight: 320.77408

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2.ClH/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;1H