methyl 5-bromanyl-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(C)C(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C24H26BrClN4O3/c1-14-4-6-17(26)13-20(14)30-10-8-29(9-11-30)15(2)23(31)28-21-18-12-16(25)5-7-19(18)27-22(21)24(32)33-3/h4-7,12-13,15,27H,8-11H2,1-3H3,(H,28,31)