3-(4-methylphenyl)-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylphenyl)-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methylphenyl)-4-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[2-(4-benzylpiperazino)ethylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-18-7-9-20(10-8-18)21-22(24(29)23(21)28)25-11-12-26-13-15-27(16-14-26)17-19-5-3-2-4-6-19/h2-10,25H,11-17H2,1H3