3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methylamino]-4-(4-methylpiperidin-1-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methylamino]-4-(4-methylpiperidin-1-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methylamino]-4-(4-methyl-1-piperidyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]methylamino]-4-(4-methyl-1-piperidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methylamino]-4-(4-methylpiperidin-1-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)benzyl]amino]-4-(4-methylpiperidino)cyclobut-3-ene-1,2-quinone Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C28H38N4O3/c1-20-11-13-31(14-12-20)25-24(26(33)27(25)34)29-19-21-7-9-22(10-8-21)28(35)32-17-15-30(16-18-32)23-5-3-2-4-6-23/h7-10,20,23,29H,2-6,11-19H2,1H3