methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-4-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-4-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 4-methyl-3-[[2-(4-piperonylpiperazino)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=C2NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C25H28N4O5/c1-16-4-3-5-18-22(16)23(24(26-18)25(31)32-2)27-21(30)14-29-10-8-28(9-11-29)13-17-6-7-19-20(12-17)34-15-33-19/h3-7,12,26H,8-11,13-15H2,1-2H3,(H,27,30)