2-(4-methylpentyl)-4-(1-phenylpiperazin-2-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-(4-methylpentyl)-4-(1-phenylpiperazin-2-yl)-1,2,4-triazol-3-one Openeye Name: 2-isohexyl-4-(1-phenylpiperazin-2-yl)-1,2,4-triazol-3-one CAS Name: 2-(4-methylpentyl)-4-(1-phenyl-2-piperazinyl)-1,2,4-triazol-3-one IUPAC Name: 2-(4-methylpentyl)-4-(1-phenylpiperazin-2-yl)-1,2,4-triazol-3-one Traditional Name: 2-isohexyl-4-(1-phenylpiperazin-2-yl)-1,2,4-triazol-3-one Formula: C18H27N5O MolecularWeight: 329.43988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C(=O)N(C=N1)C2CNCCN2C3=CC=CC=C3

Isomeric SMILES

CC(C)CCCN1C(=O)N(C=N1)C2CNCCN2C3=CC=CC=C3

InChI

InChI=1S/C18H27N5O/c1-15(2)7-6-11-23-18(24)22(14-20-23)17-13-19-10-12-21(17)16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19H,6-7,10-13H2,1-2H3