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

Systemtic Name: methyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-(4-piperonylpiperazino)ethyl]indole-3-carboxylic acid methyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O5/c1-30-24(29)19-14-27(20-5-3-2-4-18(19)20)15-23(28)26-10-8-25(9-11-26)13-17-6-7-21-22(12-17)32-16-31-21/h2-7,12,14H,8-11,13,15-16H2,1H3