N-(3-cyano-4-methyl-thiophen-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4-methyl-thiophen-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-4-methyl-2-thienyl)acetamide CAS Name: N-(3-cyano-4-methyl-2-thiophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-4-methylthiophen-2-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-4-methyl-2-thienyl)acetamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C#N)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=C1C#N)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4OS/c1-16-15-26-20(18(16)12-21)22-19(25)14-24-9-5-8-23(10-11-24)13-17-6-3-2-4-7-17/h2-4,6-7,15H,5,8-11,13-14H2,1H3,(H,22,25)