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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-cyano-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-cyano-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-cyanobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-cyanobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-cyano-benzamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=CC(=C2)C#N)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=CC(=C2)C#N)C3=CSC=C3

InChI

InChI=1S/C20H23N3OS/c21-13-16-6-5-7-17(12-16)20(24)22-14-19(18-8-11-25-15-18)23-9-3-1-2-4-10-23/h5-8,11-12,15,19H,1-4,9-10,14H2,(H,22,24)