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

Systemtic Name: 1-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-(1-imidazolylmethyl)-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-(imidazol-1-ylmethyl)piperidin-4-ol Formula: C26H26ClN7O MolecularWeight: 487.98394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)(CN5C=CN=C5)O)Cl

Isomeric SMILES

CC1=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/C26H26ClN7O/c1-18-3-4-19(13-23(18)27)15-30-24-22-14-20(28-2)5-6-21(22)25(32-31-24)34-10-7-26(35,8-11-34)16-33-12-9-29-17-33/h3-6,9,12-14,17,35H,7-8,10-11,15-16H2,1H3,(H,30,31)