3-[4-[3-[(4-tert-butylphenyl)methyl-(pyridin-3-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine

Systemtic Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(pyridin-3-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Openeye Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(3-pyridylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine CAS Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(3-pyridinylmethyl)amino]propyl]-1-piperazinyl]-1-propanamine IUPAC Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(pyridin-3-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Traditional Name: 3-[4-(3-aminopropyl)piperazino]propyl-(4-tert-butylbenzyl)-(3-pyridylmethyl)amine Formula: C27H43N5 MolecularWeight: 437.66382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCCN2CCN(CC2)CCCN)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCCN2CCN(CC2)CCCN)CC3=CN=CC=C3

InChI

InChI=1S/C27H43N5/c1-27(2,3)26-10-8-24(9-11-26)22-32(23-25-7-4-13-29-21-25)16-6-15-31-19-17-30(18-20-31)14-5-12-28/h4,7-11,13,21H,5-6,12,14-20,22-23,28H2,1-3H3