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

Systemtic Name: 3-[1H-indol-5-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-4-methyl-cyclobut-3-ene-1,2-dione hydrochloride Openeye Name: 3-[1H-indol-5-yl-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]amino]-4-methyl-cyclobut-3-ene-1,2-dione hydrochloride CAS Name: 3-[1H-indol-5-yl-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]amino]-4-methylcyclobut-3-ene-1,2-dione hydrochloride IUPAC Name: 3-[1H-indol-5-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-4-methylcyclobut-3-ene-1,2-dione hydrochloride Traditional Name: 3-[1H-indol-5-yl-[3-[4-(2-pyridyl)piperazino]propyl]amino]-4-methyl-cyclobut-3-ene-1,2-quinone hydrochloride Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C1=O)N(CCCN2CCN(CC2)C3=CC=CC=N3)C4=CC5=C(C=C4)NC=C5.Cl

Isomeric SMILES

CC1=C(C(=O)C1=O)N(CCCN2CCN(CC2)C3=CC=CC=N3)C4=CC5=C(C=C4)NC=C5.Cl

InChI

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