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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

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