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

Systemtic Name: methyl 5-bromanyl-3-[2-(4-ethoxycarbonylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(4-carbethoxypiperazino)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H23BrN4O5 MolecularWeight: 467.31372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H23BrN4O5/c1-3-29-19(27)24-8-6-23(7-9-24)11-15(25)22-16-13-10-12(20)4-5-14(13)21-17(16)18(26)28-2/h4-5,10,21H,3,6-9,11H2,1-2H3,(H,22,25)