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

Systemtic Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[2-(4-piperonylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C26H30N4O5/c1-16-4-6-20-19(12-16)23(24(27-20)26(32)33-3)28-25(31)17(2)30-10-8-29(9-11-30)14-18-5-7-21-22(13-18)35-15-34-21/h4-7,12-13,17,27H,8-11,14-15H2,1-3H3,(H,28,31)