N-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]piperidin-4-yl]methanesulfonamide

Systemtic Name: N-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]piperidin-4-yl]methanesulfonamide Openeye Name: N-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]-4-piperidyl]methanesulfonamide CAS Name: N-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-phthalazinyl]-4-piperidinyl]methanesulfonamide IUPAC Name: N-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanophthalazin-1-yl]piperidin-4-yl]methanesulfonamide Traditional Name: N-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-phthalazin-1-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=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)NS(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)NS(=O)(=O)C)Cl

InChI

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