3-[1-(5-chloranyl-1-methyl-indol-3-yl)ethyl]-6-(pyridin-2-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[1-(5-chloranyl-1-methyl-indol-3-yl)ethyl]-6-(pyridin-2-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(5-chloro-1-methyl-indol-3-yl)ethyl]-6-(2-pyridylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(5-chloro-1-methyl-3-indolyl)ethyl]-6-(2-pyridinylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(5-chloro-1-methylindol-3-yl)ethyl]-6-(pyridin-2-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(5-chloro-1-methyl-indol-3-yl)ethyl]-6-(2-pyridylmethyl)piperazine-2,5-quinone Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC(C(=O)N1)CC2=CC=CC=N2)C3=CN(C4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CC(C1C(=O)NC(C(=O)N1)CC2=CC=CC=N2)C3=CN(C4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C21H21ClN4O2/c1-12(16-11-26(2)18-7-6-13(22)9-15(16)18)19-21(28)24-17(20(27)25-19)10-14-5-3-4-8-23-14/h3-9,11-12,17,19H,10H2,1-2H3,(H,24,28)(H,25,27)