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

Systemtic Name: methyl 5-chloranyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-[2-(4-benzylpiperazino)propanoylamino]-5-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O3/c1-16(29-12-10-28(11-13-29)15-17-6-4-3-5-7-17)23(30)27-21-19-14-18(25)8-9-20(19)26-22(21)24(31)32-2/h3-9,14,16,26H,10-13,15H2,1-2H3,(H,27,30)