N-(2,6-diethylphenyl)-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(3-thenyl)-1,4-diazepan-1-yl]acetamide Formula: C22H31N3OS MolecularWeight: 385.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C22H31N3OS/c1-3-19-7-5-8-20(4-2)22(19)23-21(26)16-25-11-6-10-24(12-13-25)15-18-9-14-27-17-18/h5,7-9,14,17H,3-4,6,10-13,15-16H2,1-2H3,(H,23,26)