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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-4-pyridin-3-yl-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-4-(3-pyridyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-4-(3-pyridinyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-4-pyridin-3-ylphthalazin-1-amine Traditional Name: (3-chloro-4-methyl-benzyl)-[7-isocyano-4-(3-pyridyl)phthalazin-1-yl]amine Formula: C22H16ClN5 MolecularWeight: 385.84894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=CN=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])C4=CN=CC=C4)Cl

InChI

InChI=1S/C22H16ClN5/c1-14-5-6-15(10-20(14)23)12-26-22-19-11-17(24-2)7-8-18(19)21(27-28-22)16-4-3-9-25-13-16/h3-11,13H,12H2,1H3,(H,26,28)