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

Systemtic Name: [1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [1-[6-isocyano-4-[(4-methoxy-3-methyl-phenyl)methylamino]phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [1-[6-isocyano-4-[(4-methoxy-3-methylphenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [1-[6-isocyano-4-[(4-methoxy-3-methyl-benzyl)amino]phthalazin-1-yl]-4-piperidyl]methanol Formula: C24H27N5O2 MolecularWeight: 417.50348

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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)CO)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-16-12-18(4-7-22(16)31-3)14-26-23-21-13-19(25-2)5-6-20(21)24(28-27-23)29-10-8-17(15-30)9-11-29/h4-7,12-13,17,30H,8-11,14-15H2,1,3H3,(H,26,27)