3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole

Systemtic Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole Openeye Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole CAS Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-piperazinyl]butyl]-5-nitro-1H-indole IUPAC Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole Traditional Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazino]butyl]-5-nitro-1H-indole Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H28N4O4/c29-28(30)19-8-9-21-20(15-19)18(16-25-21)5-3-4-10-26-11-13-27(14-12-26)24-17-31-22-6-1-2-7-23(22)32-24/h1-2,6-9,15-16,24-25H,3-5,10-14,17H2