N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzofuran-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzofuran-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzofuran-3-yl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-benzofuranyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzofuran-3-yl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4O3)NC(=O)C5=NOC(=C5)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4O3)NC(=O)C5=NOC(=C5)C6=CC=CS6

InChI

InChI=1S/C28H24N4O4S/c33-27(21-17-23(36-30-21)24-11-6-16-37-24)29-25-20-9-4-5-10-22(20)35-26(25)28(34)32-14-12-31(13-15-32)18-19-7-2-1-3-8-19/h1-11,16-17H,12-15,18H2,(H,29,33)