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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-phenyl-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-phenyl-phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-phenyl-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-phenylphthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(7-isocyano-4-phenyl-phthalazin-1-yl)amine Formula: C23H17ClN4O MolecularWeight: 400.86028

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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-])C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O/c1-25-17-9-10-18-19(13-17)23(28-27-22(18)16-6-4-3-5-7-16)26-14-15-8-11-21(29-2)20(24)12-15/h3-13H,14H2,2H3,(H,26,28)