5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-2-methyl-1-(3-morpholinopropyl)-4-(2-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-2-methyl-1-[3-(4-morpholinyl)propyl]-4-thiophen-2-yl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-(3-morpholinopropyl)-4-(2-thienyl)pyrrole-3-carboxamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCCN2CCOCC2)C)C(=O)N)C3=CC=CS3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCN2CCOCC2)C)C(=O)N)C3=CC=CS3

InChI

InChI=1S/C21H31N3O2S/c1-3-4-7-17-20(18-8-5-15-27-18)19(21(22)25)16(2)24(17)10-6-9-23-11-13-26-14-12-23/h5,8,15H,3-4,6-7,9-14H2,1-2H3,(H2,22,25)