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

Systemtic Name: ethyl 5-bromanyl-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[3-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[3-[4-(3-chlorophenyl)piperazino]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H26BrClN4O3 MolecularWeight: 533.84524

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrClN4O3/c1-2-33-24(32)23-22(19-14-16(25)6-7-20(19)27-23)28-21(31)8-9-29-10-12-30(13-11-29)18-5-3-4-17(26)15-18/h3-7,14-15,27H,2,8-13H2,1H3,(H,28,31)