[3-(4-chloranylbutyl)-4-piperazin-1-ylcarbonyl-1H-indol-5-yl] hydrogen carbonate

Systemtic Name: [3-(4-chloranylbutyl)-4-piperazin-1-ylcarbonyl-1H-indol-5-yl] hydrogen carbonate Openeye Name: [3-(4-chlorobutyl)-4-(piperazine-1-carbonyl)-1H-indol-5-yl] hydrogen carbonate CAS Name: carbonic acid [3-(4-chlorobutyl)-4-[oxo(1-piperazinyl)methyl]-1H-indol-5-yl] ester IUPAC Name: [3-(4-chlorobutyl)-4-(piperazine-1-carbonyl)-1H-indol-5-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(4-chlorobutyl)-4-(piperazine-1-carbonyl)-1H-indol-5-yl] ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=C(C=CC3=C2C(=CN3)CCCCCl)OC(=O)O

Isomeric SMILES

C1CN(CCN1)C(=O)C2=C(C=CC3=C2C(=CN3)CCCCCl)OC(=O)O

InChI

InChI=1S/C18H22ClN3O4/c19-6-2-1-3-12-11-21-13-4-5-14(26-18(24)25)16(15(12)13)17(23)22-9-7-20-8-10-22/h4-5,11,20-21H,1-3,6-10H2,(H,24,25)