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

Systemtic Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Openeye Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(4-pyridylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine CAS Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]-1-piperazinyl]-1-propanamine IUPAC Name: 3-[4-[3-[(4-tert-butylphenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Traditional Name: 3-[4-(3-aminopropyl)piperazino]propyl-(4-tert-butylbenzyl)-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5/c1-27(2,3)26-8-6-24(7-9-26)22-32(23-25-10-13-29-14-11-25)17-5-16-31-20-18-30(19-21-31)15-4-12-28/h6-11,13-14H,4-5,12,15-23,28H2,1-3H3