4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylpyrrolidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(3-oxidanylpyrrolidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(3-hydroxypyrrolidin-1-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxy-1-pyrrolidinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(3-hydroxypyrrolidin-1-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-hydroxypyrrolidino)phthalazine-6-carbonitrile Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O2/c1-29-19-5-3-14(9-18(19)22)11-24-20-17-8-13(10-23)2-4-16(17)21(26-25-20)27-7-6-15(28)12-27/h2-5,8-9,15,28H,6-7,11-12H2,1H3,(H,24,25)