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

Systemtic Name: 1-[5-azanyl-3-[(3-chlorophenyl)amino]-1,2,4-triazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-4-phenyl-butan-1-one Formula: C18H18ClN5O MolecularWeight: 355.82142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O/c19-14-9-5-10-15(12-14)21-18-22-17(20)24(23-18)16(25)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H3,20,21,22,23)