1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3,5-bis[(3-chlorobenzyl)amino]-1,2,4-triazol-1-yl]butan-1-one Formula: C20H21Cl2N5O MolecularWeight: 418.31964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)NCC2=CC(=CC=C2)Cl)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)NCC2=CC(=CC=C2)Cl)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21Cl2N5O/c1-2-5-18(28)27-20(24-13-15-7-4-9-17(22)11-15)25-19(26-27)23-12-14-6-3-8-16(21)10-14/h3-4,6-11H,2,5,12-13H2,1H3,(H2,23,24,25,26)