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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-methoxyphenyl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-methoxyphenyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methoxyphenyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-methoxyphenyl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-(4-methoxyphenyl)phthalazine-6-carbonitrile Formula: C24H19ClN4O2 MolecularWeight: 430.88626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C3=C2C=CC(=C3)C#N)NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H19ClN4O2/c1-30-18-7-5-17(6-8-18)23-19-9-3-15(13-26)11-20(19)24(29-28-23)27-14-16-4-10-22(31-2)21(25)12-16/h3-12H,14H2,1-2H3,(H,27,29)