4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[2-(hydroxymethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[2-(hydroxymethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-methylol-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)phthalazine-6-carbonitrile hydrochloride Formula: C23H23Cl2N5O4 MolecularWeight: 504.36582

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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)N4CC5C(C4)OC(O5)CO)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CC5C(C4)OC(O5)CO)Cl.Cl

InChI

InChI=1S/C23H22ClN5O4.ClH/c1-31-18-5-3-14(7-17(18)24)9-26-22-16-6-13(8-25)2-4-15(16)23(28-27-22)29-10-19-20(11-29)33-21(12-30)32-19;/h2-7,19-21,30H,9-12H2,1H3,(H,26,27);1H