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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-1-piperazinyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl)piperazino]-3-(1H-indol-3-yl)propan-1-one Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CCC4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)CCC4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C25H27N3O4/c29-24(9-7-19-17-26-21-5-2-1-4-20(19)21)27-10-12-28(13-11-27)25(30)18-6-8-22-23(16-18)32-15-3-14-31-22/h1-2,4-6,8,16-17,26H,3,7,9-15H2