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0WE

Summary
Name:N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
Formula:C22 H23 N3 O3
Formal charge:0
Formula weight:377.436 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
OpenEye OEToolkits1.7.6N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxidanylidene-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2Nc1ncc(cc1CC2)CCC(=O)N(C)Cc4oc3ccccc3c4C
InChIInChI1.03InChI=1S/C22H23N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26)
InChIKeyInChI1.03WDNCPCMRTFYNIQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3
SMILESCACTVS3.370CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4
SMILESOpenEye OEToolkits1.7.6Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4

218500

PDB entries from 2024-04-17

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