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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-chloro-3-nitro-benzamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S/c20-16-6-5-14(11-17(16)23(25)26)19(24)21-12-18(15-7-10-27-13-15)22-8-3-1-2-4-9-22/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,21,24)