1-(3-azanyl-3-methyl-but-1-ynyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile

Systemtic Name: 1-(3-azanyl-3-methyl-but-1-ynyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile Openeye Name: 1-(3-amino-3-methyl-but-1-ynyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazine-6-carbonitrile CAS Name: 1-(3-amino-3-methylbut-1-ynyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-(3-amino-3-methylbut-1-ynyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazine-6-carbonitrile Traditional Name: 1-(3-amino-3-methyl-but-1-ynyl)-4-[(3-chloro-4-methoxy-benzyl)amino]phthalazine-6-carbonitrile Formula: C22H20ClN5O MolecularWeight: 405.8801

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)C#N)N

Isomeric SMILES

CC(C)(C#CC1=C2C=CC(=CC2=C(N=N1)NCC3=CC(=C(C=C3)OC)Cl)C#N)N

InChI

InChI=1S/C22H20ClN5O/c1-22(2,25)9-8-19-16-6-4-14(12-24)10-17(16)21(28-27-19)26-13-15-5-7-20(29-3)18(23)11-15/h4-7,10-11H,13,25H2,1-3H3,(H,26,28)