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JVT

Summary
Name:N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
Formula:C19 H21 N5 O
Formal charge:0
Formula weight:335.403 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
OpenEye OEToolkits1.9.2N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4
InChIInChI1.03InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)20-19(25)18-16-4-2-3-5-17(16)21-22-18/h2-9H,10-13H2,1H3,(H,20,25)(H,21,22)
InChIKeyInChI1.03NZDNAXLFPOOOJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2
SMILESCACTVS3.385CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3
SMILESOpenEye OEToolkits1.9.2CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3

227111

数据于2024-11-06公开中

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