6-ethyl-7-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-8-(piperidin-1-ylmethyl)chromen-4-one

Systemtic Name: 6-ethyl-7-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)-8-(piperidin-1-ylmethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-8-(1-piperidylmethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-8-(1-piperidinylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-8-(piperidin-1-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(4-phenyl-1,2,4-triazol-3-yl)-8-(piperidinomethyl)chromone Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)CN5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)CN5CCCCC5)O

InChI

InChI=1S/C25H26N4O3/c1-2-17-13-19-23(31)21(25-27-26-16-29(25)18-9-5-3-6-10-18)15-32-24(19)20(22(17)30)14-28-11-7-4-8-12-28/h3,5-6,9-10,13,15-16,30H,2,4,7-8,11-12,14H2,1H3