1-(2H-1,5-benzodioxepin-7-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-(2H-1,5-benzodioxepin-7-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(2H-1,5-benzodioxepin-7-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 1-(2H-1,5-benzodioxepin-7-yl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(2H-1,5-benzodioxepin-7-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 1-(2H-1,5-benzodioxepin-7-yl)-4-[4-(2-methoxyphenyl)piperazino]butan-1-one Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC4=C(C=C3)OCC=CO4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC4=C(C=C3)OCC=CO4

InChI

InChI=1S/C24H28N2O4/c1-28-22-8-3-2-6-20(22)26-14-12-25(13-15-26)11-4-7-21(27)19-9-10-23-24(18-19)30-17-5-16-29-23/h2-3,5-6,8-10,17-18H,4,7,11-16H2,1H3