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

Systemtic Name: methyl 5-bromanyl-3-[2-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[2-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-(4-phenyl-1-piperazinyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[2-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-(4-phenylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H25BrN4O3 MolecularWeight: 485.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O3/c1-15(27-10-12-28(13-11-27)17-6-4-3-5-7-17)22(29)26-20-18-14-16(24)8-9-19(18)25-21(20)23(30)31-2/h3-9,14-15,25H,10-13H2,1-2H3,(H,26,29)