2-[3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-[3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]phenyl]ethanamide Openeye Name: 2-[3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]phenyl]acetamide CAS Name: 2-[3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-phthalazinyl]phenyl]acetamide IUPAC Name: 2-[3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanophthalazin-1-yl]phenyl]acetamide Traditional Name: 2-[3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-phthalazin-1-yl]phenyl]acetamide Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC(=CC=C4)CC(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC(=CC=C4)CC(=O)N)Cl

InChI

InChI=1S/C25H20ClN5O2/c1-33-22-8-6-17(11-21(22)26)14-29-25-20-10-16(13-27)5-7-19(20)24(30-31-25)18-4-2-3-15(9-18)12-23(28)32/h2-11H,12,14H2,1H3,(H2,28,32)(H,29,31)