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

Systemtic Name: [1-[4-[(3-bromanyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-[4-[(3-bromo-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol CAS Name: [1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-3-pyrrolidinyl]methanol IUPAC Name: [1-[4-[(3-bromo-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-3-yl]methanol Traditional Name: [1-[4-[(3-bromo-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Formula: C22H22BrN5O MolecularWeight: 452.34698

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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(C4)CO)Br

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)Br

InChI

InChI=1S/C22H22BrN5O/c1-14-3-4-15(9-20(14)23)11-25-21-19-10-17(24-2)5-6-18(19)22(27-26-21)28-8-7-16(12-28)13-29/h3-6,9-10,16,29H,7-8,11-13H2,1H3,(H,25,26)