N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]coumarilamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H27N3O3/c1-17(2)15-23(28)27-13-11-26(12-14-27)20-9-7-19(8-10-20)25-24(29)22-16-18-5-3-4-6-21(18)30-22/h3-10,16-17H,11-15H2,1-2H3,(H,25,29)