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

Systemtic Name: 3-methyl-4-[[3-(1-piperazin-1-yl-3-pyridin-2-yl-propyl)-1H-indol-5-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-methyl-4-[[3-[1-piperazin-1-yl-3-(2-pyridyl)propyl]-1H-indol-5-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-methyl-4-[[3-[1-(1-piperazinyl)-3-(2-pyridinyl)propyl]-1H-indol-5-yl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-methyl-4-[[3-(1-piperazin-1-yl-3-pyridin-2-ylpropyl)-1H-indol-5-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-methyl-4-[[3-[1-piperazino-3-(2-pyridyl)propyl]-1H-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)NC=C3C(CCC4=CC=CC=N4)N5CCNCC5

Isomeric SMILES

CC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)NC=C3C(CCC4=CC=CC=N4)N5CCNCC5

InChI

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