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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-(1-imidazolylmethyl)-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol Formula: C26H26ClN7O2 MolecularWeight: 503.98334

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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(CC4)(CN5C=CN=C5)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)(CN5C=CN=C5)O)Cl

InChI

InChI=1S/C26H26ClN7O2/c1-28-19-4-5-20-21(14-19)24(30-15-18-3-6-23(36-2)22(27)13-18)31-32-25(20)34-10-7-26(35,8-11-34)16-33-12-9-29-17-33/h3-6,9,12-14,17,35H,7-8,10-11,15-16H2,2H3,(H,30,31)