3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole

Systemtic Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole Openeye Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole CAS Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinyl]butyl]-5-nitro-1H-indole IUPAC Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-5-nitro-1H-indole Traditional Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-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-])C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H28N4O4/c29-28(30)20-4-6-22-21(15-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-5-7-23-24(16-19)32-14-13-31-23/h4-7,15-17,25H,1-3,8-14H2