1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl)piperazino]-4-(1H-indol-3-yl)butan-1-one Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C26H29N3O4/c30-25(8-3-5-20-18-27-22-7-2-1-6-21(20)22)28-11-13-29(14-12-28)26(31)19-9-10-23-24(17-19)33-16-4-15-32-23/h1-2,6-7,9-10,17-18,27H,3-5,8,11-16H2