1-[3,4-bis(oxidanyl)pyrrolidin-1-yl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile

Systemtic Name: 1-[3,4-bis(oxidanyl)pyrrolidin-1-yl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3,4-dihydroxypyrrolidin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3,4-dihydroxy-1-pyrrolidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3,4-dihydroxypyrrolidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3,4-dihydroxypyrrolidino)phthalazine-6-carbonitrile Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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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)N4CC(C(C4)O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CC(C(C4)O)O)Cl

InChI

InChI=1S/C21H20ClN5O3/c1-30-19-5-3-13(7-16(19)22)9-24-20-15-6-12(8-23)2-4-14(15)21(26-25-20)27-10-17(28)18(29)11-27/h2-7,17-18,28-29H,9-11H2,1H3,(H,24,25)