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

Systemtic Name: [1-[4-[(3-bromanyl-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methoxy-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol CAS Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-pyrrolidinyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-3-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methoxy-benzyl)amino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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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(C4)CO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)Br

InChI

InChI=1S/C22H22BrN5O2/c1-24-16-4-5-17-18(10-16)21(25-11-14-3-6-20(30-2)19(23)9-14)26-27-22(17)28-8-7-15(12-28)13-29/h3-6,9-10,15,29H,7-8,11-13H2,2H3,(H,25,26)