3-[3-(4-cyclohexylpiperazin-1-yl)propylamino]-4-phenyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[3-(4-cyclohexylpiperazin-1-yl)propylamino]-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-(4-cyclohexylpiperazin-1-yl)propylamino]-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-(4-cyclohexyl-1-piperazinyl)propylamino]-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-(4-cyclohexylpiperazin-1-yl)propylamino]-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-[3-(4-cyclohexylpiperazino)propylamino]-4-phenyl-cyclobut-3-ene-1,2-quinone Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CCCNC3=C(C(=O)C3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CCCNC3=C(C(=O)C3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3O2/c27-22-20(18-8-3-1-4-9-18)21(23(22)28)24-12-7-13-25-14-16-26(17-15-25)19-10-5-2-6-11-19/h1,3-4,8-9,19,24H,2,5-7,10-17H2