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

Systemtic Name: 2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]acetamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS/c1-17-8-13-25-19(17)15-22-9-5-10-23(12-11-22)16-20(24)21-14-18-6-3-2-4-7-18/h2-4,6-8,13H,5,9-12,14-16H2,1H3,(H,21,24)