1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one; 2-oxidanylbenzoic acid

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one; 2-oxidanylbenzoic acid Openeye Name: 2-hydroxybenzoic acid; 4-(isopropylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-3-pyrazolone; 2-hydroxybenzoic acid IUPAC Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one; 2-hydroxybenzoic acid Traditional Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; salicylic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C14H19N3O.C7H6O3/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;8-6-4-2-1-3-5(6)7(9)10/h5-10,15H,1-4H3;1-4,8H,(H,9,10)