4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]benzaldehyde

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]benzaldehyde Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]benzaldehyde CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]benzaldehyde IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]benzaldehyde Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]benzaldehyde Formula: C24H17ClN4O2 MolecularWeight: 428.87038

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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=C(C=C4)C=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClN4O2/c1-26-18-8-9-19-20(12-18)24(27-13-16-5-10-22(31-2)21(25)11-16)29-28-23(19)17-6-3-15(14-30)4-7-17/h3-12,14H,13H2,2H3,(H,27,29)