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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-pyrrolidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-3-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-ol Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)O)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-23-14-4-5-16-17(10-14)20(25-26-21(16)27-8-7-15(28)12-27)24-11-13-3-6-19(29-2)18(22)9-13/h3-6,9-10,15,28H,7-8,11-12H2,2H3,(H,24,25)