N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-phenoxy-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-phenoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-phenoxybenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-phenoxy-benzamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C25H28N2O2S/c28-25(20-10-12-23(13-11-20)29-22-8-4-3-5-9-22)26-18-24(21-14-17-30-19-21)27-15-6-1-2-7-16-27/h3-5,8-14,17,19,24H,1-2,6-7,15-16,18H2,(H,26,28)