4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-pyrazol-1-yl-phthalazin-1-amine

Systemtic Name: 4-chloranyl-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-pyrazol-1-yl-phthalazin-1-amine Openeye Name: 4-chloro-N-[(3-chloro-4-methoxy-phenyl)methyl]-7-pyrazol-1-yl-phthalazin-1-amine CAS Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-7-(1-pyrazolyl)-1-phthalazinamine IUPAC Name: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-7-pyrazol-1-ylphthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(4-chloro-7-pyrazol-1-yl-phthalazin-1-yl)amine Formula: C19H15Cl2N5O MolecularWeight: 400.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)Cl)Cl

InChI

InChI=1S/C19H15Cl2N5O/c1-27-17-6-3-12(9-16(17)20)11-22-19-15-10-13(26-8-2-7-23-26)4-5-14(15)18(21)24-25-19/h2-10H,11H2,1H3,(H,22,25)