3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methylamino]-4-piperidin-1-yl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methylamino]-4-piperidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methylamino]-4-(1-piperidyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]cyclohexyl]methylamino]-4-(1-piperidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methylamino]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methylamino]-4-piperidino-cyclobut-3-ene-1,2-quinone Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H36N4O3/c32-25-23(24(26(25)33)30-13-5-2-6-14-30)28-19-20-9-11-21(12-10-20)27(34)31-17-15-29(16-18-31)22-7-3-1-4-8-22/h1,3-4,7-8,20-21,28H,2,5-6,9-19H2