5-(1-benzofuran-4-yl)-N1-[bis(azanyl)methylidene]-N3-(2-dimethylaminoethyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-(1-benzofuran-4-yl)-N1-[bis(azanyl)methylidene]-N3-(2-dimethylaminoethyl)benzene-1,3-dicarboxamide Openeye Name: 5-(benzofuran-4-yl)-N1-(diaminomethylene)-N3-(2-dimethylaminoethyl)benzene-1,3-dicarboxamide CAS Name: 5-(4-benzofuranyl)-N1-(diaminomethylidene)-N3-(2-dimethylaminoethyl)benzene-1,3-dicarboxamide IUPAC Name: 5-(1-benzofuran-4-yl)-1-N-(diaminomethylidene)-3-N-(2-dimethylaminoethyl)benzene-1,3-dicarboxamide Traditional Name: 5-(benzofuran-4-yl)-N-(diaminomethylene)-N'-(2-dimethylaminoethyl)isophthalamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C=COC3=CC=C2

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C=COC3=CC=C2

InChI

InChI=1S/C21H23N5O3/c1-26(2)8-7-24-19(27)14-10-13(11-15(12-14)20(28)25-21(22)23)16-4-3-5-18-17(16)6-9-29-18/h3-6,9-12H,7-8H2,1-2H3,(H,24,27)(H4,22,23,25,28)