1-[2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]ethynyl]cyclopentan-1-ol

Systemtic Name: 1-[2-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]ethynyl]cyclopentanol Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CC4(CCCC4)O)[N+]#[C-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=C(N=N2)C#CC4(CCCC4)O)[N+]#[C-])Cl

InChI

InChI=1S/C24H21ClN4O2/c1-26-17-6-7-18-19(14-17)23(27-15-16-5-8-22(31-2)20(25)13-16)29-28-21(18)9-12-24(30)10-3-4-11-24/h5-8,13-14,30H,3-4,10-11,15H2,2H3,(H,27,29)