N3-[bis(azanyl)methylidene]-N1-(2-morpholin-4-ylpropyl)-5-pyrrol-1-yl-benzene-1,3-dicarboxamide

Systemtic Name: N3-[bis(azanyl)methylidene]-N1-(2-morpholin-4-ylpropyl)-5-pyrrol-1-yl-benzene-1,3-dicarboxamide Openeye Name: N3-(diaminomethylene)-N1-(2-morpholinopropyl)-5-pyrrol-1-yl-benzene-1,3-dicarboxamide CAS Name: N3-(diaminomethylidene)-N1-[2-(4-morpholinyl)propyl]-5-(1-pyrrolyl)benzene-1,3-dicarboxamide IUPAC Name: 3-N-(diaminomethylidene)-1-N-(2-morpholin-4-ylpropyl)-5-pyrrol-1-ylbenzene-1,3-dicarboxamide Traditional Name: N'-(diaminomethylene)-N-(2-morpholinopropyl)-5-pyrrol-1-yl-isophthalamide Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)N2C=CC=C2)N3CCOCC3

Isomeric SMILES

CC(CNC(=O)C1=CC(=CC(=C1)C(=O)N=C(N)N)N2C=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H26N6O3/c1-14(25-6-8-29-9-7-25)13-23-18(27)15-10-16(19(28)24-20(21)22)12-17(11-15)26-4-2-3-5-26/h2-5,10-12,14H,6-9,13H2,1H3,(H,23,27)(H4,21,22,24,28)