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JZH

Summary
Name:(3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one
Formula:C21 H15 N3 O2
Formal charge:0
Formula weight:341.363 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C5Nc1ccccc1c2c3c(ncc2)ncc3C5c4ccc(O)cc4
SMILES_CANONICALCACTVS3.352Oc1ccc(cc1)[C@@H]2C(=O)Nc3ccccc3c4ccnc5[nH]cc2c45
SMILESCACTVS3.352Oc1ccc(cc1)[CH]2C(=O)Nc3ccccc3c4ccnc5[nH]cc2c45
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(C(=O)N2)c5ccc(cc5)O
InChIInChI1.03InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)/t18-/m0/s1
InChIKeyInChI1.03LGIBDQRYOFBMTC-SFHVURJKSA-N

217705

PDB entries from 2024-03-27

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