1-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 1-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Openeye Name: 1-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile hydrochloride CAS Name: 1-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 1-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile hydrochloride Traditional Name: 1-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile hydrochloride Formula: C17H13Cl3N4O MolecularWeight: 395.67032

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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)Cl)Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N4O.ClH/c1-24-15-5-3-11(7-14(15)18)9-21-17-13-6-10(8-20)2-4-12(13)16(19)22-23-17;/h2-7H,9H2,1H3,(H,21,23);1H