methyl 5-bromanyl-3-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzhydrylpiperazino)acetyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C29H29BrN4O3 MolecularWeight: 561.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29BrN4O3/c1-37-29(36)27-26(23-18-22(30)12-13-24(23)31-27)32-25(35)19-33-14-16-34(17-15-33)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,28,31H,14-17,19H2,1H3,(H,32,35)