3-methyl-4-[[1-[3-(3-pyridin-2-ylpiperazin-1-yl)propyl]indol-5-yl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-methyl-4-[[1-[3-(3-pyridin-2-ylpiperazin-1-yl)propyl]indol-5-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-methyl-4-[[1-[3-[3-(2-pyridyl)piperazin-1-yl]propyl]indol-5-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-methyl-4-[[1-[3-[3-(2-pyridinyl)-1-piperazinyl]propyl]-5-indolyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-methyl-4-[[1-[3-(3-pyridin-2-ylpiperazin-1-yl)propyl]indol-5-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-methyl-4-[[1-[3-[3-(2-pyridyl)piperazino]propyl]indol-5-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)N(C=C3)CCCN4CCNC(C4)C5=CC=CC=N5

Isomeric SMILES

CC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)N(C=C3)CCCN4CCNC(C4)C5=CC=CC=N5

InChI

InChI=1S/C25H27N5O2/c1-17-23(25(32)24(17)31)28-19-6-7-22-18(15-19)8-13-30(22)12-4-11-29-14-10-27-21(16-29)20-5-2-3-9-26-20/h2-3,5-9,13,15,21,27-28H,4,10-12,14,16H2,1H3