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

Systemtic Name: 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-2-methyl-1-(3-morpholinopropyl)-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-2-methyl-1-[3-(4-morpholinyl)propyl]-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-(3-morpholinopropyl)-4-(3-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=CSC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCN2CCOCC2)C)C(=O)N)C3=CSC=C3

InChI

InChI=1S/C21H31N3O2S/c1-3-4-6-18-20(17-7-14-27-15-17)19(21(22)25)16(2)24(18)9-5-8-23-10-12-26-13-11-23/h7,14-15H,3-6,8-13H2,1-2H3,(H2,22,25)