239

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Summary

Name:6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
Synonyms:6-[N-(4-(AMINOMETHYL)PHENYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Formula:C19 H18 N4 O
Formal charge:0
Molecular weight:318.372 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[4-(aminomethyl)phenyl]-6-carbamimidoylnaphthalene-2-carboxamide
OpenEye OEToolkits1.5.0N-[4-(aminomethyl)phenyl]-6-carbamimidoyl-naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1ccc(cc1)CN)c3cc2ccc(C(=[N@H])N)cc2cc3
SMILES_CANONICALCACTVS3.341NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
SMILESCACTVS3.341NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N
InChIInChI1.03InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
InChIKeyInChI1.03NLBDETRVUYOIHQ-UHFFFAOYSA-N
171588
PDB entries from 2020-11-25