2-(4-tert-butylphenyl)-6-chloranyl-3-[(1-methylpyrazol-4-yl)methoxy]chromen-4-one

Systemtic Name: 2-(4-tert-butylphenyl)-6-chloranyl-3-[(1-methylpyrazol-4-yl)methoxy]chromen-4-one Openeye Name: 2-(4-tert-butylphenyl)-6-chloro-3-[(1-methylpyrazol-4-yl)methoxy]chromen-4-one CAS Name: 2-(4-tert-butylphenyl)-6-chloro-3-[(1-methyl-4-pyrazolyl)methoxy]-1-benzopyran-4-one IUPAC Name: 2-(4-tert-butylphenyl)-6-chloro-3-[(1-methylpyrazol-4-yl)methoxy]chromen-4-one Traditional Name: 2-(4-tert-butylphenyl)-6-chloro-3-[(1-methylpyrazol-4-yl)methoxy]chromone Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CN(N=C4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CN(N=C4)C

InChI

InChI=1S/C24H23ClN2O3/c1-24(2,3)17-7-5-16(6-8-17)22-23(29-14-15-12-26-27(4)13-15)21(28)19-11-18(25)9-10-20(19)30-22/h5-13H,14H2,1-4H3