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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-24(2,3)20-8-5-18(6-9-20)16-25-11-4-12-26(14-13-25)23(27)19-7-10-21-22(15-19)29-17-28-21/h5-10,15H,4,11-14,16-17H2,1-3H3