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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indole-3-carbonyl)piperazino]methanone Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c27-22(16-6-7-20-21(14-16)30-13-3-12-29-20)25-8-10-26(11-9-25)23(28)18-15-24-19-5-2-1-4-17(18)19/h1-2,4-7,14-15,24H,3,8-13H2