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

Systemtic Name: 1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[6-isocyano-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazin-1-yl]piperidin-4-ol Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(CC4)O)OC

InChI

InChI=1S/C23H25N5O2/c1-15-12-16(4-7-21(15)30-3)14-25-22-20-13-17(24-2)5-6-19(20)23(27-26-22)28-10-8-18(29)9-11-28/h4-7,12-13,18,29H,8-11,14H2,1,3H3,(H,25,26)