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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-4-(4-methylphenyl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-4-(p-tolyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-4-(4-methylphenyl)-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-4-(4-methylphenyl)phthalazin-1-amine Traditional Name: (3-chloro-4-methyl-benzyl)-[7-isocyano-4-(p-tolyl)phthalazin-1-yl]amine Formula: C24H19ClN4 MolecularWeight: 398.88746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C24H19ClN4/c1-15-4-8-18(9-5-15)23-20-11-10-19(26-3)13-21(20)24(29-28-23)27-14-17-7-6-16(2)22(25)12-17/h4-13H,14H2,1-2H3,(H,27,29)