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67B

Summary
Name:N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Formula:C17 H17 N3 O2
Formal charge:0
Formula weight:295.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
OpenEye OEToolkits2.0.4~{N},~{N}-dimethyl-3-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(C(=O)N(C)C)cc(C1=CN(C)C(=O)c2c1ccn2)cc3
InChIInChI1.03InChI=1S/C17H17N3O2/c1-19(2)16(21)12-6-4-5-11(9-12)14-10-20(3)17(22)15-13(14)7-8-18-15/h4-10,18H,1-3H3
InChIKeyInChI1.03YHMNROQTPUKNLA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23
SMILESCACTVS3.385CN(C)C(=O)c1cccc(c1)C2=CN(C)C(=O)c3[nH]ccc23
SMILES_CANONICALOpenEye OEToolkits2.0.4CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C
SMILESOpenEye OEToolkits2.0.4CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C

218853

PDB entries from 2024-04-24

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