6-ethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-4-one

Systemtic Name: 6-ethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-oxidanyl-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[(4-methyl-1-piperidyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[(4-methyl-1-piperidinyl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperidino)methyl]-3-(4-phenyl-1,2,4-triazol-3-yl)chromone Formula: C26H28N4O3 MolecularWeight: 444.52552

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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)CN5CCC(CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)CN5CCC(CC5)C)O

InChI

InChI=1S/C26H28N4O3/c1-3-18-13-20-24(32)22(26-28-27-16-30(26)19-7-5-4-6-8-19)15-33-25(20)21(23(18)31)14-29-11-9-17(2)10-12-29/h4-8,13,15-17,31H,3,9-12,14H2,1-2H3