2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one CAS Name: 2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-[(1S,2S)-2-benzoxy-1-ethyl-propyl]-4-(4-piperazinophenyl)-1,2,4-triazol-3-one Formula: C24H31N5O2 MolecularWeight: 421.53524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C24H31N5O2/c1-3-23(19(2)31-17-20-7-5-4-6-8-20)29-24(30)28(18-26-29)22-11-9-21(10-12-22)27-15-13-25-14-16-27/h4-12,18-19,23,25H,3,13-17H2,1-2H3/t19-,23-/m0/s1