1,3-benzodioxol-5-yl-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(m-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3/c1-16-4-2-5-17(12-16)14-22-8-3-9-23(11-10-22)21(24)18-6-7-19-20(13-18)26-15-25-19/h2,4-7,12-13H,3,8-11,14-15H2,1H3