2-butan-2-yl-5-[4-(4-methoxyphenyl)-2-piperazin-1-yl-phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-5-[4-(4-methoxyphenyl)-2-piperazin-1-yl-phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 5-[4-(4-methoxyphenyl)-2-piperazin-1-yl-phenyl]-2-sec-butyl-1H-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-5-[4-(4-methoxyphenyl)-2-(1-piperazinyl)phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-5-[4-(4-methoxyphenyl)-2-piperazin-1-ylphenyl]-1H-1,2,4-triazol-3-one Traditional Name: 5-[4-(4-methoxyphenyl)-2-piperazino-phenyl]-2-sec-butyl-1H-1,2,4-triazol-3-one Formula: C23H29N5O2 MolecularWeight: 407.50866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N=C(N1)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC)N4CCNCC4

Isomeric SMILES

CCC(C)N1C(=O)N=C(N1)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC)N4CCNCC4

InChI

InChI=1S/C23H29N5O2/c1-4-16(2)28-23(29)25-22(26-28)20-10-7-18(17-5-8-19(30-3)9-6-17)15-21(20)27-13-11-24-12-14-27/h5-10,15-16,24H,4,11-14H2,1-3H3,(H,25,26,29)