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

Systemtic Name: ethyl 5-bromanyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-[4-(2-methoxyphenyl)piperazino]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H29BrN4O4 MolecularWeight: 529.42616

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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)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H29BrN4O4/c1-3-34-25(32)24-23(18-16-17(26)8-9-19(18)27-24)28-22(31)10-11-29-12-14-30(15-13-29)20-6-4-5-7-21(20)33-2/h4-9,16,27H,3,10-15H2,1-2H3,(H,28,31)