ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromanyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromanyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromo-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-5-bromo-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-(4-piperonylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H29BrN4O5 MolecularWeight: 557.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29BrN4O5/c1-2-34-26(33)25-24(19-14-18(27)4-5-20(19)28-25)29-23(32)7-8-30-9-11-31(12-10-30)15-17-3-6-21-22(13-17)36-16-35-21/h3-6,13-14,28H,2,7-12,15-16H2,1H3,(H,29,32)