3-[4-[(4-butan-2-ylphenyl)iminomethyl]-1-phenyl-pyrazol-3-yl]chromen-2-one

Systemtic Name: 3-[4-[(4-butan-2-ylphenyl)iminomethyl]-1-phenyl-pyrazol-3-yl]chromen-2-one Openeye Name: 3-[1-phenyl-4-[(4-sec-butylphenyl)iminomethyl]pyrazol-3-yl]chromen-2-one CAS Name: 3-[4-[(4-butan-2-ylphenyl)iminomethyl]-1-phenyl-3-pyrazolyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(4-butan-2-ylphenyl)iminomethyl]-1-phenylpyrazol-3-yl]chromen-2-one Traditional Name: 3-[1-phenyl-4-[(4-sec-butylphenyl)iminomethyl]pyrazol-3-yl]coumarin Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N=CC2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2/c1-3-20(2)21-13-15-24(16-14-21)30-18-23-19-32(25-10-5-4-6-11-25)31-28(23)26-17-22-9-7-8-12-27(22)34-29(26)33/h4-20H,3H2,1-2H3