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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c21-12-16-2-4-17(5-3-16)14-24-7-1-8-25(10-9-24)15-19(26)23-20-18(13-22)6-11-27-20/h2-6,11H,1,7-10,14-15H2,(H,23,26)