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

Systemtic Name: 4-(3-azanyl-3-methyl-but-1-ynyl)-N-[(3-chloranyl-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine Openeye Name: 4-(3-amino-3-methyl-but-1-ynyl)-N-[(3-chloro-4-methyl-phenyl)methyl]-7-isocyano-phthalazin-1-amine CAS Name: 4-(3-amino-3-methylbut-1-ynyl)-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyano-1-phthalazinamine IUPAC Name: 4-(3-amino-3-methylbut-1-ynyl)-N-[(3-chloro-4-methylphenyl)methyl]-7-isocyanophthalazin-1-amine Traditional Name: [4-(3-amino-3-methyl-but-1-ynyl)-7-isocyano-phthalazin-1-yl]-(3-chloro-4-methyl-benzyl)amine Formula: C22H20ClN5 MolecularWeight: 389.8807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CC(C)(C)N)[N+]#[C-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CC(C)(C)N)[N+]#[C-])Cl

InChI

InChI=1S/C22H20ClN5/c1-14-5-6-15(11-19(14)23)13-26-21-18-12-16(25-4)7-8-17(18)20(27-28-21)9-10-22(2,3)24/h5-8,11-12H,13,24H2,1-3H3,(H,26,28)