N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-isocyano-N1-(pyridin-4-ylmethyl)phthalazine-1,4-diamine

Systemtic Name: N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-isocyano-N1-(pyridin-4-ylmethyl)phthalazine-1,4-diamine Openeye Name: N4-[(3-chloro-4-methoxy-phenyl)methyl]-6-isocyano-N1-(4-pyridylmethyl)phthalazine-1,4-diamine CAS Name: N4-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-N1-(pyridin-4-ylmethyl)phthalazine-1,4-diamine IUPAC Name: 4-N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-1-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-(4-pyridylmethylamino)phthalazin-1-yl]amine Formula: C23H19ClN6O MolecularWeight: 430.88956

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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-])NCC4=CC=NC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])NCC4=CC=NC=C4)Cl

InChI

InChI=1S/C23H19ClN6O/c1-25-17-4-5-18-19(12-17)23(28-14-16-3-6-21(31-2)20(24)11-16)30-29-22(18)27-13-15-7-9-26-10-8-15/h3-12H,13-14H2,2H3,(H,27,29)(H,28,30)