1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one

Systemtic Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one CAS Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-5-[4-(2-methoxyphenyl)piperazino]pentan-1-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)C(=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)OC1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)C(=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)OC1)C

InChI

InChI=1S/C27H36N2O4/c1-27(2)19-32-25-12-11-21(18-26(25)33-20-27)23(30)9-6-7-13-28-14-16-29(17-15-28)22-8-4-5-10-24(22)31-3/h4-5,8,10-12,18H,6-7,9,13-17,19-20H2,1-3H3