N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[6-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide CAS Name: N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[6-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide Formula: C24H28N4OS MolecularWeight: 420.57032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C24H28N4OS/c1-19-5-7-20(8-6-19)18-27-11-3-12-28(14-13-27)23-10-9-21(17-25-23)26-24(29)16-22-4-2-15-30-22/h2,4-10,15,17H,3,11-14,16,18H2,1H3,(H,26,29)