N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazin-1-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-[4-(2-pyridyl)piperazin-1-yl]phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-[4-(2-pyridinyl)-1-piperazinyl]-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-[4-(2-pyridyl)piperazino]phthalazin-1-yl]amine Formula: C26H24ClN7O MolecularWeight: 485.96806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCN(CC4)C5=CC=CC=N5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCN(CC4)C5=CC=CC=N5)Cl

InChI

InChI=1S/C26H24ClN7O/c1-28-19-7-8-20-21(16-19)25(30-17-18-6-9-23(35-2)22(27)15-18)31-32-26(20)34-13-11-33(12-14-34)24-5-3-4-10-29-24/h3-10,15-16H,11-14,17H2,2H3,(H,30,31)