4-[5-azanyl-3-[(3-chlorophenyl)amino]-1,2,4-triazol-1-yl]-2-methyl-1-phenyl-butane-1,4-dione

Systemtic Name: 4-[5-azanyl-3-[(3-chlorophenyl)amino]-1,2,4-triazol-1-yl]-2-methyl-1-phenyl-butane-1,4-dione Openeye Name: 4-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-methyl-1-phenyl-butane-1,4-dione CAS Name: 4-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-methyl-1-phenylbutane-1,4-dione IUPAC Name: 4-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-methyl-1-phenylbutane-1,4-dione Traditional Name: 4-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-methyl-1-phenyl-butane-1,4-dione Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1C(=NC(=N1)NC2=CC(=CC=C2)Cl)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1C(=NC(=N1)NC2=CC(=CC=C2)Cl)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClN5O2/c1-12(17(27)13-6-3-2-4-7-13)10-16(26)25-18(21)23-19(24-25)22-15-9-5-8-14(20)11-15/h2-9,11-12H,10H2,1H3,(H3,21,22,23,24)