2-methyl-4-oxidanyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 2-methyl-4-oxidanyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-2-methyl-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)CC2O1)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)CC2O1)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O3/c1-12-18(19(23)16-8-7-15(22)9-17(16)24-12)13-10-20-21(11-13)14-5-3-2-4-6-14/h2-6,10-11,17,23H,7-9H2,1H3