1,5-dimethyl-4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-allyl-2-hydroxy-phenyl)methylamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-allyl-2-hydroxy-benzyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=CC=CC(=C3O)CC=C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=CC=CC(=C3O)CC=C

InChI

InChI=1S/C21H23N3O2/c1-4-9-16-10-8-11-17(20(16)25)14-22-19-15(2)23(3)24(21(19)26)18-12-6-5-7-13-18/h4-8,10-13,22,25H,1,9,14H2,2-3H3