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

Systemtic Name: N-[[1-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(4-phenylpiperazin-1-yl)ethanamine Openeye Name: N-[[1-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(4-phenylpiperazin-1-yl)ethanamine CAS Name: N-[[1-tert-butyl-5-(4-chlorophenyl)-3-pyrazolyl]methyl]-2-(4-phenyl-1-piperazinyl)ethanamine IUPAC Name: N-[[1-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(4-phenylpiperazin-1-yl)ethanamine Traditional Name: [1-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]methyl-[2-(4-phenylpiperazino)ethyl]amine Formula: C26H34ClN5 MolecularWeight: 452.03466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)CNCCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)CNCCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H34ClN5/c1-26(2,3)32-25(21-9-11-22(27)12-10-21)19-23(29-32)20-28-13-14-30-15-17-31(18-16-30)24-7-5-4-6-8-24/h4-12,19,28H,13-18,20H2,1-3H3