3-[[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]chromen-4-one

Systemtic Name: 3-[[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]chromen-4-one Openeye Name: 3-[[(1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]chromen-4-one CAS Name: 3-[[(1-cyclohexyl-3-piperidinyl)methyl-(3-pyridinylmethyl)amino]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(1-cyclohexylpiperidin-3-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]chromen-4-one Traditional Name: 3-[[(1-cyclohexyl-3-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]chromone Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCC(C2)CN(CC3=CN=CC=C3)CC4=COC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)N2CCCC(C2)CN(CC3=CN=CC=C3)CC4=COC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H35N3O2/c32-28-24(21-33-27-13-5-4-12-26(27)28)20-30(17-22-8-6-14-29-16-22)18-23-9-7-15-31(19-23)25-10-2-1-3-11-25/h4-6,8,12-14,16,21,23,25H,1-3,7,9-11,15,17-20H2