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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-nitro-benzamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c23-19(15-5-7-17(8-6-15)22(24)25)20-13-18(16-9-12-26-14-16)21-10-3-1-2-4-11-21/h5-9,12,14,18H,1-4,10-11,13H2,(H,20,23)