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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-16-4-5-18(12-17(16)2)14-23-8-3-9-24(11-10-23)22(25)19-6-7-20-21(13-19)27-15-26-20/h4-7,12-13H,3,8-11,14-15H2,1-2H3