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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)N2C=C(C3=C2C=CC=C3OC(=O)O)CCCCCl

Isomeric SMILES

C1CN(CCN1)C(=O)N2C=C(C3=C2C=CC=C3OC(=O)O)CCCCCl

InChI

InChI=1S/C18H22ClN3O4/c19-7-2-1-4-13-12-22(17(23)21-10-8-20-9-11-21)14-5-3-6-15(16(13)14)26-18(24)25/h3,5-6,12,20H,1-2,4,7-11H2,(H,24,25)