7-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol

Systemtic Name: 7-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Openeye Name: 7-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol CAS Name: 7-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(1-pyrazolyl)-1-phthalazinyl]-7-azaspiro[3.5]nonan-2-ol IUPAC Name: 7-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-pyrazol-1-ylphthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Traditional Name: 7-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-pyrazol-1-yl-phthalazin-1-yl]-7-azaspiro[3.5]nonan-2-ol Formula: C27H29ClN6O2 MolecularWeight: 505.01116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)N5CCC6(CC5)CC(C6)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)N5CCC6(CC5)CC(C6)O)Cl

InChI

InChI=1S/C27H29ClN6O2/c1-36-24-6-3-18(13-23(24)28)17-29-25-22-14-19(34-10-2-9-30-34)4-5-21(22)26(32-31-25)33-11-7-27(8-12-33)15-20(35)16-27/h2-6,9-10,13-14,20,35H,7-8,11-12,15-17H2,1H3,(H,29,31)