N-[3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]ethanamide

Systemtic Name: N-[3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]ethanamide Openeye Name: N-[3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]phenyl]acetamide CAS Name: N-[3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]phenyl]acetamide IUPAC Name: N-[3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]phenyl]acetamide Traditional Name: N-[3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]phenyl]acetamide Formula: C25H20ClN5O2 MolecularWeight: 457.9116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H20ClN5O2/c1-15(32)29-19-6-4-5-17(12-19)24-20-9-8-18(27-2)13-21(20)25(31-30-24)28-14-16-7-10-23(33-3)22(26)11-16/h4-13H,14H2,1,3H3,(H,28,31)(H,29,32)