methyl 3-bromanyl-5-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanoylamino]-2H-isoindole-1-carboxylate

Systemtic Name: methyl 3-bromanyl-5-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanoylamino]-2H-isoindole-1-carboxylate Openeye Name: methyl 3-bromo-5-[[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetyl]amino]-2H-isoindole-1-carboxylate CAS Name: 3-bromo-5-[[2-[4-(9H-fluoren-9-yl)-1-piperazinyl]-1-oxoethyl]amino]-2H-isoindole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-bromo-5-[[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetyl]amino]-2H-isoindole-1-carboxylate Traditional Name: 3-bromo-5-[[2-[4-(9H-fluoren-9-yl)piperazino]acetyl]amino]-2H-isoindole-1-carboxylic acid methyl ester Formula: C29H27BrN4O3 MolecularWeight: 559.45368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=CC2=C(N1)Br)NC(=O)CN3CCN(CC3)C4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

COC(=O)C1=C2C=CC(=CC2=C(N1)Br)NC(=O)CN3CCN(CC3)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C29H27BrN4O3/c1-37-29(36)26-21-11-10-18(16-24(21)28(30)32-26)31-25(35)17-33-12-14-34(15-13-33)27-22-8-4-2-6-19(22)20-7-3-5-9-23(20)27/h2-11,16,27,32H,12-15,17H2,1H3,(H,31,35)