7-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol

Systemtic Name: 7-[4-[(3-chloranyl-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol Openeye Name: 7-[4-[(3-chloro-4-methyl-phenyl)methylamino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol CAS Name: 7-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyano-1-phthalazinyl]-7-azaspiro[3.4]octan-2-ol IUPAC Name: 7-[4-[(3-chloro-4-methylphenyl)methylamino]-6-isocyanophthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol Traditional Name: 7-[4-[(3-chloro-4-methyl-benzyl)amino]-6-isocyano-phthalazin-1-yl]-7-azaspiro[3.4]octan-2-ol Formula: C24H24ClN5O MolecularWeight: 433.93326

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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-])N4CCC5(C4)CC(C5)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC5(C4)CC(C5)O)Cl

InChI

InChI=1S/C24H24ClN5O/c1-15-3-4-16(9-21(15)25)13-27-22-20-10-17(26-2)5-6-19(20)23(29-28-22)30-8-7-24(14-30)11-18(31)12-24/h3-6,9-10,18,31H,7-8,11-14H2,1H3,(H,27,28)