methyl 3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-32-25(31)24-23(20-11-5-6-12-21(20)26-24)27-22(30)18-29-16-14-28(15-17-29)13-7-10-19-8-3-2-4-9-19/h2-12,26H,13-18H2,1H3,(H,27,30)/b10-7+