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

Systemtic Name: 4-butyl-N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-butyl-N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-butyl-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-butyl-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: (4-butyl-7-isocyano-phthalazin-1-yl)-(3-chloro-4-methyl-benzyl)amine Formula: C21H21ClN4 MolecularWeight: 364.87124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(C2=C1C=CC(=C2)[N+]#[C-])NCC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCC1=NN=C(C2=C1C=CC(=C2)[N+]#[C-])NCC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C21H21ClN4/c1-4-5-6-20-17-10-9-16(23-3)12-18(17)21(26-25-20)24-13-15-8-7-14(2)19(22)11-15/h7-12H,4-6,13H2,1-2H3,(H,24,26)