4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-oxidanylidene-2-(3-oxidanylpropyl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-oxidanylidene-2-(3-oxidanylpropyl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(3-hydroxypropyl)-1-oxo-phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(3-hydroxypropyl)-1-oxo-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(3-hydroxypropyl)-1-oxophthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(3-hydroxypropyl)-1-keto-phthalazine-6-carbonitrile Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3/c1-28-18-6-4-14(10-17(18)21)12-23-19-16-9-13(11-22)3-5-15(16)20(27)25(24-19)7-2-8-26/h3-6,9-10,26H,2,7-8,12H2,1H3,(H,23,24)