3-[(1-azanyl-3-cyclohexyl-propan-2-yl)amino]-4-[3-(1-oxidanyl-1-phenyl-heptyl)piperidin-1-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(1-azanyl-3-cyclohexyl-propan-2-yl)amino]-4-[3-(1-oxidanyl-1-phenyl-heptyl)piperidin-1-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[1-(aminomethyl)-2-cyclohexyl-ethyl]amino]-4-[3-(1-hydroxy-1-phenyl-heptyl)-1-piperidyl]cyclobut-3-ene-1,2-dione CAS Name: 3-[(1-amino-3-cyclohexylpropan-2-yl)amino]-4-[3-(1-hydroxy-1-phenylheptyl)-1-piperidinyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(1-amino-3-cyclohexylpropan-2-yl)amino]-4-[3-(1-hydroxy-1-phenylheptyl)piperidin-1-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[1-(aminomethyl)-2-cyclohexyl-ethyl]amino]-4-[3-(1-hydroxy-1-phenyl-heptyl)piperidino]cyclobut-3-ene-1,2-quinone Formula: C31H47N3O3 MolecularWeight: 509.72318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1CCCN(C1)C2=C(C(=O)C2=O)NC(CC3CCCCC3)CN)(C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCC(C1CCCN(C1)C2=C(C(=O)C2=O)NC(CC3CCCCC3)CN)(C4=CC=CC=C4)O

InChI

InChI=1S/C31H47N3O3/c1-2-3-4-11-18-31(37,24-15-9-6-10-16-24)25-17-12-19-34(22-25)28-27(29(35)30(28)36)33-26(21-32)20-23-13-7-5-8-14-23/h6,9-10,15-16,23,25-26,33,37H,2-5,7-8,11-14,17-22,32H2,1H3