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

Systemtic Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromanyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromo-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-(4-piperonylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H27BrN4O5 MolecularWeight: 543.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)OC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27BrN4O5/c1-15(24(31)28-22-18-12-17(26)4-5-19(18)27-23(22)25(32)33-2)30-9-7-29(8-10-30)13-16-3-6-20-21(11-16)35-14-34-20/h3-6,11-12,15,27H,7-10,13-14H2,1-2H3,(H,28,31)