1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-cyano-phthalazin-5-yl]piperidine-4-carboxamide

Systemtic Name: 1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-cyano-phthalazin-5-yl]piperidine-4-carboxamide Openeye Name: 1-[1-[(3-chloro-4-methoxy-phenyl)methylamino]-7-cyano-phthalazin-5-yl]piperidine-4-carboxamide CAS Name: 1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-cyano-5-phthalazinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-cyanophthalazin-5-yl]piperidine-4-carboxamide Traditional Name: 1-[1-[(3-chloro-4-methoxy-benzyl)amino]-7-cyano-phthalazin-5-yl]isonipecotamide Formula: C23H23ClN6O2 MolecularWeight: 450.92072

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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)C(=O)N)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O2/c1-32-21-3-2-14(9-19(21)24)12-27-23-17-8-15(11-25)10-20(18(17)13-28-29-23)30-6-4-16(5-7-30)22(26)31/h2-3,8-10,13,16H,4-7,12H2,1H3,(H2,26,31)(H,27,29)