N-[1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-cyano-phthalazin-5-yl]piperidin-4-yl]methanesulfonamide

Systemtic Name: N-[1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-cyano-phthalazin-5-yl]piperidin-4-yl]methanesulfonamide Openeye Name: N-[1-[1-[(3-chloro-4-methoxy-phenyl)methylamino]-7-cyano-phthalazin-5-yl]-4-piperidyl]methanesulfonamide CAS Name: N-[1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-cyano-5-phthalazinyl]-4-piperidinyl]methanesulfonamide IUPAC Name: N-[1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-cyanophthalazin-5-yl]piperidin-4-yl]methanesulfonamide Traditional Name: N-[1-[1-[(3-chloro-4-methoxy-benzyl)amino]-7-cyano-phthalazin-5-yl]-4-piperidyl]methanesulfonamide Formula: C23H25ClN6O3S MolecularWeight: 501.001

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)NS(=O)(=O)C)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCC(CC4)NS(=O)(=O)C)C#N)Cl

InChI

InChI=1S/C23H25ClN6O3S/c1-33-22-4-3-15(10-20(22)24)13-26-23-18-9-16(12-25)11-21(19(18)14-27-28-23)30-7-5-17(6-8-30)29-34(2,31)32/h3-4,9-11,14,17,29H,5-8,13H2,1-2H3,(H,26,28)