N-(3-cyanothiophen-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-2-thienyl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-2-thienyl)acetamide Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=C(C=CS2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4OS/c20-13-17-7-12-25-19(17)21-18(24)15-23-9-4-8-22(10-11-23)14-16-5-2-1-3-6-16/h1-3,5-7,12H,4,8-11,14-15H2,(H,21,24)