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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC(=CC(=C2)C(=O)N=C(N)N)N3C=CC=C3

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC(=CC(=C2)C(=O)N=C(N)N)N3C=CC=C3

InChI

InChI=1S/C20H26N6O3/c21-20(22)24-19(28)16-12-15(13-17(14-16)26-6-1-2-7-26)18(27)23-4-3-5-25-8-10-29-11-9-25/h1-2,6-7,12-14H,3-5,8-11H2,(H,23,27)(H4,21,22,24,28)