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A0J

Summary
Name:3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE
Formula:C20 H19 N3 O
Formal charge:0
Formula weight:317.384 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(3R)-3-methyl-5-(1-methylpyrazol-4-yl)-3-(phenylmethyl)-1H-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19N3O/c1-20(11-14-6-4-3-5-7-14)17-10-15(16-12-21-23(2)13-16)8-9-18(17)22-19(20)24/h3-10,12-13H,11H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyInChI1.03PXFSEAGTJRSUCG-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(cn1)c2ccc3NC(=O)[C@](C)(Cc4ccccc4)c3c2
SMILESCACTVS3.385Cn1cc(cn1)c2ccc3NC(=O)[C](C)(Cc4ccccc4)c3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4
SMILESOpenEye OEToolkits1.7.6CC1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4

219140

PDB entries from 2024-05-01

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