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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-fluoranyl-3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-fluoro-3-(hydroxymethyl)-1-pyrrolidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(3-fluoro-3-methylol-pyrrolidino)phthalazine-6-carbonitrile Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClFN5O2/c1-31-19-5-3-15(9-18(19)23)11-26-20-17-8-14(10-25)2-4-16(17)21(28-27-20)29-7-6-22(24,12-29)13-30/h2-5,8-9,30H,6-7,11-13H2,1H3,(H,26,27)