3-(1,3-benzodioxol-5-yl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propan-1-one Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c1-18-5-2-3-6-20(18)16-24-11-4-12-25(14-13-24)23(26)10-8-19-7-9-21-22(15-19)28-17-27-21/h2-3,5-7,9,15H,4,8,10-14,16-17H2,1H3