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A1IA0

Summary
Name:6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one
Formula:C21 H22 N2 O3
Formal charge:0
Formula weight:350.411 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[4-(phenylmethyl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H22N2O3/c24-20-14-26-19-7-6-17(13-18(19)22-20)21(25)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,22,24)
InChIKeyInChI1.06HMRLNXQKADQRFT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1COc2ccc(cc2N1)C(=O)N3CCC(CC3)Cc4ccccc4
SMILESCACTVS3.385O=C1COc2ccc(cc2N1)C(=O)N3CCC(CC3)Cc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc4c(c3)NC(=O)CO4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc4c(c3)NC(=O)CO4

248942

PDB entries from 2026-02-11

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