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

Systemtic Name: 4-(3-aminophenyl)-N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-(3-aminophenyl)-N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-(3-aminophenyl)-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-(3-aminophenyl)-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: [4-(3-aminophenyl)-7-isocyano-phthalazin-1-yl]-(3-chloro-4-methyl-benzyl)amine Formula: C23H18ClN5 MolecularWeight: 399.87552

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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=CC(=CC=C4)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN5/c1-14-6-7-15(10-21(14)24)13-27-23-20-12-18(26-2)8-9-19(20)22(28-29-23)16-4-3-5-17(25)11-16/h3-12H,13,25H2,1H3,(H,27,29)