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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-phenyl-phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-phenyl-phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenyl-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylphthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-phenyl-phthalazine-6-carbonitrile hydrochloride Formula: C23H18Cl2N4O MolecularWeight: 437.32122

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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)C4=CC=CC=C4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=C4)Cl.Cl

InChI

InChI=1S/C23H17ClN4O.ClH/c1-29-21-10-8-16(12-20(21)24)14-26-23-19-11-15(13-25)7-9-18(19)22(27-28-23)17-5-3-2-4-6-17;/h2-12H,14H2,1H3,(H,26,28);1H