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

Systemtic Name: 1-[5-azanyl-3-[(3-chlorophenyl)amino]-1,2,4-triazol-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenyl-butane-1,4-dione Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(=O)N2C(=NC(=N2)NC3=CC(=CC=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(=O)N2C(=NC(=N2)NC3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C18H16ClN5O2/c19-13-7-4-8-14(11-13)21-18-22-17(20)24(23-18)16(26)10-9-15(25)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,20,21,22,23)