tert-butyl N-(3-oxidanylpropyl)-N-[2-[(phenylmethyl)-[[6-[[(phenylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]pyridin-2-yl]methyl]amino]ethyl]carbamate

Systemtic Name: tert-butyl N-(3-oxidanylpropyl)-N-[2-[(phenylmethyl)-[[6-[[(phenylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]pyridin-2-yl]methyl]amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[benzyl-[[6-[[benzyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-2-pyridyl]methyl]amino]ethyl]-N-(3-hydroxypropyl)carbamate CAS Name: N-(3-hydroxypropyl)-N-[2-[(phenylmethyl)-[[6-[[(phenylmethyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-2-pyridinyl]methyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[benzyl-[[6-[[benzyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]pyridin-2-yl]methyl]amino]ethyl]-N-(3-hydroxypropyl)carbamate Traditional Name: N-[2-[benzyl-[[6-[[benzyl-[3-(trifluoromethyl)benzyl]amino]methyl]-2-pyridyl]methyl]amino]ethyl]-N-(3-hydroxypropyl)carbamic acid tert-butyl ester Formula: C39H47F3N4O3 MolecularWeight: 676.81069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCO)CCN(CC1=CC=CC=C1)CC2=CC=CC(=N2)CN(CC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCO)CCN(CC1=CC=CC=C1)CC2=CC=CC(=N2)CN(CC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C39H47F3N4O3/c1-38(2,3)49-37(48)46(21-12-24-47)23-22-44(26-31-13-6-4-7-14-31)29-35-19-11-20-36(43-35)30-45(27-32-15-8-5-9-16-32)28-33-17-10-18-34(25-33)39(40,41)42/h4-11,13-20,25,47H,12,21-24,26-30H2,1-3H3