4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[methyl(3-oxidanylpropyl)amino]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[methyl(3-oxidanylpropyl)amino]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-hydroxypropyl(methyl)amino]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-hydroxypropyl(methyl)amino]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-hydroxypropyl(methyl)amino]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[3-hydroxypropyl(methyl)amino]phthalazine-6-carbonitrile Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCO)C1=NN=C(C2=C1C=CC(=C2)C#N)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CCCO)C1=NN=C(C2=C1C=CC(=C2)C#N)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-27(8-3-9-28)21-16-6-4-14(12-23)10-17(16)20(25-26-21)24-13-15-5-7-19(29-2)18(22)11-15/h4-7,10-11,28H,3,8-9,13H2,1-2H3,(H,24,25)