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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-(3-methyl-3-pyrrolidin-1-yl-but-1-ynyl)phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-(3-methyl-3-pyrrolidin-1-yl-but-1-ynyl)phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-[3-methyl-3-(1-pyrrolidinyl)but-1-ynyl]-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(3-methyl-3-pyrrolidin-1-ylbut-1-ynyl)phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-(3-methyl-3-pyrrolidino-but-1-ynyl)phthalazin-1-yl]amine Formula: C26H26ClN5O MolecularWeight: 459.97054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-])N4CCCC4

Isomeric SMILES

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-])N4CCCC4

InChI

InChI=1S/C26H26ClN5O/c1-26(2,32-13-5-6-14-32)12-11-23-20-9-8-19(28-3)16-21(20)25(31-30-23)29-17-18-7-10-24(33-4)22(27)15-18/h7-10,15-16H,5-6,13-14,17H2,1-2,4H3,(H,29,31)