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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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