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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[1H-indol-2-yl(oxo)methyl]-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-indole-2-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=CC5=CC=CC=C5N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4)OC1

InChI

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