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426

Summary
Name:6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
Synonyms:6-[N-(3-CYCLOPENTYLOXYPHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Formula:C23 H23 N3 O2
Formal charge:0
Formula weight:373.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-carbamimidoyl-N-[3-(cyclopentyloxy)phenyl]naphthalene-2-carboxamide
OpenEye OEToolkits1.5.06-carbamimidoyl-N-(3-cyclopentyloxyphenyl)naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4cc(OC3CCCC3)ccc4
SMILES_CANONICALCACTVS3.341NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3cccc(OC4CCCC4)c3
SMILESCACTVS3.341NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc3cccc(OC4CCCC4)c3
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)N
InChIInChI1.03InChI=1S/C23H23N3O2/c24-22(25)17-10-8-16-13-18(11-9-15(16)12-17)23(27)26-19-4-3-7-21(14-19)28-20-5-1-2-6-20/h3-4,7-14,20H,1-2,5-6H2,(H3,24,25)(H,26,27)
InChIKeyInChI1.03FWTQOPWAMQXIMI-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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