3-[4-[(4-tert-butylphenyl)iminomethyl]-1-phenyl-pyrazol-3-yl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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