N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-nitrophenyl)acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C20H25N3O3S/c24-20(13-16-5-7-18(8-6-16)23(25)26)21-14-19(17-9-12-27-15-17)22-10-3-1-2-4-11-22/h5-9,12,15,19H,1-4,10-11,13-14H2,(H,21,24)