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

Systemtic Name: 1-[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3,5-bis[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3,5-bis[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]butan-1-one Formula: C26H35N5O MolecularWeight: 433.589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O/c1-6-7-24(32)31-26(28-17-21-10-14-23(15-11-21)19(4)5)29-25(30-31)27-16-20-8-12-22(13-9-20)18(2)3/h8-15,18-19H,6-7,16-17H2,1-5H3,(H2,27,28,29,30)