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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-3-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-3-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-3-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]piperidin-3-ol Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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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-])N4CCCC(C4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCCC(C4)O)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-24-15-6-7-17-18(11-15)21(25-12-14-5-8-20(30-2)19(23)10-14)26-27-22(17)28-9-3-4-16(29)13-28/h5-8,10-11,16,29H,3-4,9,12-13H2,2H3,(H,25,26)