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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-pyridin-3-yl-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-4-(3-pyridyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-4-(3-pyridinyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-4-pyridin-3-ylphthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[4-(3-pyridyl)phthalazin-1-yl]amine Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C4=CN=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C4=CN=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O/c1-27-19-9-8-14(11-18(19)22)12-24-21-17-7-3-2-6-16(17)20(25-26-21)15-5-4-10-23-13-15/h2-11,13H,12H2,1H3,(H,24,26)