1-phenylpiperazine; [3-[4-(4-phenylpiperazin-1-yl)butyl]-1-piperazin-1-ylcarbonyl-indol-5-yl] hydrogen carbonate

Systemtic Name: 1-phenylpiperazine; [3-[4-(4-phenylpiperazin-1-yl)butyl]-1-piperazin-1-ylcarbonyl-indol-5-yl] hydrogen carbonate Openeye Name: 1-phenylpiperazine; [3-[4-(4-phenylpiperazin-1-yl)butyl]-1-(piperazine-1-carbonyl)indol-5-yl] hydrogen carbonate CAS Name: carbonic acid [1-[oxo(1-piperazinyl)methyl]-3-[4-(4-phenyl-1-piperazinyl)butyl]-5-indolyl] ester; 1-phenylpiperazine IUPAC Name: 1-phenylpiperazine; [3-[4-(4-phenylpiperazin-1-yl)butyl]-1-(piperazine-1-carbonyl)indol-5-yl] hydrogen carbonate Traditional Name: carbonic acid [3-[4-(4-phenylpiperazino)butyl]-1-(piperazine-1-carbonyl)indol-5-yl] ester; 1-phenylpiperazine Formula: C38H49N7O4 MolecularWeight: 667.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC=C2.C1CN(CCN1)C(=O)N2C=C(C3=C2C=CC(=C3)OC(=O)O)CCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=CC=CC=C2.C1CN(CCN1)C(=O)N2C=C(C3=C2C=CC(=C3)OC(=O)O)CCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N5O4.C10H14N2/c34-27(32-14-11-29-12-15-32)33-21-22(25-20-24(37-28(35)36)9-10-26(25)33)6-4-5-13-30-16-18-31(19-17-30)23-7-2-1-3-8-23;1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-3,7-10,20-21,29H,4-6,11-19H2,(H,35,36);1-5,11H,6-9H2