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

Systemtic Name: 4-(3-aminophenyl)-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-(3-aminophenyl)-N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-(3-aminophenyl)-N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-(3-aminophenyl)-N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: [4-(3-aminophenyl)-7-isocyano-phthalazin-1-yl]-(3-chloro-4-methoxy-benzyl)amine Formula: C23H18ClN5O MolecularWeight: 415.87492

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN5O/c1-26-17-7-8-18-19(12-17)23(27-13-14-6-9-21(30-2)20(24)10-14)29-28-22(18)15-4-3-5-16(25)11-15/h3-12H,13,25H2,2H3,(H,27,29)