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

Systemtic Name: [1-[4-[(3-bromanyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]methanol CAS Name: [1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]piperidin-4-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-4-piperidyl]methanol Formula: C23H24BrN5O MolecularWeight: 466.37356

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN5O/c1-15-3-4-17(11-21(15)24)13-26-22-20-12-18(25-2)5-6-19(20)23(28-27-22)29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30H,7-10,13-14H2,1H3,(H,26,27)