[1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoranyl-piperidin-4-yl]methanol

Systemtic Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoranyl-piperidin-4-yl]methanol Openeye Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol CAS Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-fluoro-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3,4-dimethylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-4-fluoropiperidin-4-yl]methanol Traditional Name: [1-[4-[(3,4-dimethylbenzyl)amino]-6-isocyano-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol Formula: C24H26FN5O MolecularWeight: 419.494543

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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)(CO)F)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN5O/c1-16-4-5-18(12-17(16)2)14-27-22-21-13-19(26-3)6-7-20(21)23(29-28-22)30-10-8-24(25,15-31)9-11-30/h4-7,12-13,31H,8-11,14-15H2,1-2H3,(H,27,28)