1-(azepan-1-yl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-2-phenyl-butan-1-one Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)C(=O)N2CCCCCC2)C3COC4=CC=CC=C4O3

Isomeric SMILES

CN(CCC(C1=CC=CC=C1)C(=O)N2CCCCCC2)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H32N2O3/c1-26(24-19-29-22-13-7-8-14-23(22)30-24)18-15-21(20-11-5-4-6-12-20)25(28)27-16-9-2-3-10-17-27/h4-8,11-14,21,24H,2-3,9-10,15-19H2,1H3