N-[[2-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]methyl]-2-(4-phenylpiperazin-1-yl)ethanamine

Systemtic Name: N-[[2-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]methyl]-2-(4-phenylpiperazin-1-yl)ethanamine Openeye Name: N-[(2-tert-butyl-5-isobutyl-pyrazol-3-yl)methyl]-2-(4-phenylpiperazin-1-yl)ethanamine CAS Name: N-[[2-tert-butyl-5-(2-methylpropyl)-3-pyrazolyl]methyl]-2-(4-phenyl-1-piperazinyl)ethanamine IUPAC Name: N-[[2-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]methyl]-2-(4-phenylpiperazin-1-yl)ethanamine Traditional Name: (2-tert-butyl-5-isobutyl-pyrazol-3-yl)methyl-[2-(4-phenylpiperazino)ethyl]amine Formula: C24H39N5 MolecularWeight: 397.59996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1)CNCCN2CCN(CC2)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)CC1=NN(C(=C1)CNCCN2CCN(CC2)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C24H39N5/c1-20(2)17-21-18-23(29(26-21)24(3,4)5)19-25-11-12-27-13-15-28(16-14-27)22-9-7-6-8-10-22/h6-10,18,20,25H,11-17,19H2,1-5H3