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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(hydroxymethyl)piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-(hydroxymethyl)piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-(hydroxymethyl)-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-(hydroxymethyl)piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-methylol-piperidin-4-ol Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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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)(CO)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O3/c1-25-16-4-5-17-18(12-16)21(26-13-15-3-6-20(32-2)19(24)11-15)27-28-22(17)29-9-7-23(31,14-30)8-10-29/h3-6,11-12,30-31H,7-10,13-14H2,2H3,(H,26,27)