6-ethyl-2-methyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ylmethyl)chromen-4-one

Systemtic Name: 6-ethyl-2-methyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ylmethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-8-(1-piperidylmethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-phenyl-4-pyrazolyl)-8-(1-piperidinylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-8-(piperidinomethyl)chromone Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)CN5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)CN5CCCCC5)O

InChI

InChI=1S/C27H29N3O3/c1-3-19-14-22-26(32)24(20-15-28-30(16-20)21-10-6-4-7-11-21)18(2)33-27(22)23(25(19)31)17-29-12-8-5-9-13-29/h4,6-7,10-11,14-16,31H,3,5,8-9,12-13,17H2,1-2H3