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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(1H-indole-3-carbonyl)piperazino]ethanone Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CC(=O)N3CCN(CC3)C(=O)C4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)CC(=O)N3CCN(CC3)C(=O)C4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C24H25N3O4/c28-23(15-17-6-7-21-22(14-17)31-13-3-12-30-21)26-8-10-27(11-9-26)24(29)19-16-25-20-5-2-1-4-18(19)20/h1-2,4-7,14,16,25H,3,8-13,15H2