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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-oxidanylidene-2H-phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-oxo-2H-phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-oxo-2H-phthalazine-6-carbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-oxo-2H-phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-keto-2H-phthalazine-6-carbonitrile Formula: C17H13ClN4O2 MolecularWeight: 340.76372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O2/c1-24-15-5-3-11(7-14(15)18)9-20-16-13-6-10(8-19)2-4-12(13)17(23)22-21-16/h2-7H,9H2,1H3,(H,20,21)(H,22,23)