N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C22H25N3O2S/c26-22(19-14-21(27-24-19)17-8-4-3-5-9-17)23-15-20(18-10-13-28-16-18)25-11-6-1-2-7-12-25/h3-5,8-10,13-14,16,20H,1-2,6-7,11-12,15H2,(H,23,26)