4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]benzonitrile CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]benzonitrile IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]benzonitrile Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]benzonitrile Formula: C23H17ClN4O MolecularWeight: 400.86028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H17ClN4O/c1-29-21-11-8-16(12-20(21)24)14-26-23-19-5-3-2-4-18(19)22(27-28-23)17-9-6-15(13-25)7-10-17/h2-12H,14H2,1H3,(H,26,28)