4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-(m-tolylmethyl)-1-(2-thienylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-(3-methylbenzyl)-1-(2-thenyl)-1,4-diazepan-5-one Formula: C18H22N2OS MolecularWeight: 314.44508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)CC3=CC=CS3

InChI

InChI=1S/C18H22N2OS/c1-15-4-2-5-16(12-15)13-20-10-9-19(8-7-18(20)21)14-17-6-3-11-22-17/h2-6,11-12H,7-10,13-14H2,1H3