5-[[[4-(2-azanylethylcarbamoyl)phenyl]amino]methyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-[[[4-(2-azanylethylcarbamoyl)phenyl]amino]methyl]benzene-1,3-dicarboxamide Openeye Name: 5-[[4-(2-aminoethylcarbamoyl)anilino]methyl]benzene-1,3-dicarboxamide CAS Name: 5-[[4-[(2-aminoethylamino)-oxomethyl]anilino]methyl]benzene-1,3-dicarboxamide IUPAC Name: 5-[[4-(2-aminoethylcarbamoyl)anilino]methyl]benzene-1,3-dicarboxamide Traditional Name: 5-[[4-(2-aminoethylcarbamoyl)anilino]methyl]isophthalamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCN)NCC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCN)NCC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C18H21N5O3/c19-5-6-22-18(26)12-1-3-15(4-2-12)23-10-11-7-13(16(20)24)9-14(8-11)17(21)25/h1-4,7-9,23H,5-6,10,19H2,(H2,20,24)(H2,21,25)(H,22,26)