4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[2-(hydroxymethyl)-1-pyrrolidinyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(2-methylolpyrrolidino)phthalazine-6-carbonitrile Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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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)N4CCCC4CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCCC4CO)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-30-20-7-5-15(10-19(20)23)12-25-21-18-9-14(11-24)4-6-17(18)22(27-26-21)28-8-2-3-16(28)13-29/h4-7,9-10,16,29H,2-3,8,12-13H2,1H3,(H,25,26)