4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-cyano-4-methoxy-phenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-cyano-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)-1-pyrrolidinyl]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-cyano-4-methoxyphenyl)methylamino]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-cyano-4-methoxy-benzyl)amino]-1-(3-methylolpyrrolidino)phthalazine-6-carbonitrile hydrochloride Formula: C23H23ClN6O2 MolecularWeight: 450.92072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(C4)CO)C#N.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(C4)CO)C#N.Cl

InChI

InChI=1S/C23H22N6O2.ClH/c1-31-21-5-3-16(8-18(21)11-25)12-26-22-20-9-15(10-24)2-4-19(20)23(28-27-22)29-7-6-17(13-29)14-30;/h2-5,8-9,17,30H,6-7,12-14H2,1H3,(H,26,27);1H