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

Systemtic Name: N-[(1-tert-butyl-5-propyl-pyrazol-3-yl)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine Openeye Name: N-[(1-tert-butyl-5-propyl-pyrazol-3-yl)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine CAS Name: N-[(1-tert-butyl-5-propyl-3-pyrazolyl)methyl]-2-[4-(3-chlorophenyl)-1-piperazinyl]ethanamine IUPAC Name: N-[(1-tert-butyl-5-propylpyrazol-3-yl)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine Traditional Name: (1-tert-butyl-5-propyl-pyrazol-3-yl)methyl-[2-[4-(3-chlorophenyl)piperazino]ethyl]amine Formula: C23H36ClN5 MolecularWeight: 418.01844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1C(C)(C)C)CNCCN2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCC1=CC(=NN1C(C)(C)C)CNCCN2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H36ClN5/c1-5-7-22-17-20(26-29(22)23(2,3)4)18-25-10-11-27-12-14-28(15-13-27)21-9-6-8-19(24)16-21/h6,8-9,16-17,25H,5,7,10-15,18H2,1-4H3