4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(2-hydroxyethyloxy)-3-methyl-but-1-ynyl]phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-[3-(2-hydroxyethyloxy)-3-methyl-but-1-ynyl]phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-[3-(2-hydroxyethoxy)-3-methyl-but-1-ynyl]phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(2-hydroxyethoxy)-3-methylbut-1-ynyl]-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[3-(2-hydroxyethoxy)-3-methylbut-1-ynyl]phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[3-(2-hydroxyethoxy)-3-methyl-but-1-ynyl]phthalazine-6-carbonitrile Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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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)OCCO

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O3/c1-24(2,32-11-10-30)9-8-21-18-6-4-16(14-26)12-19(18)23(29-28-21)27-15-17-5-7-22(31-3)20(25)13-17/h4-7,12-13,30H,10-11,15H2,1-3H3,(H,27,29)