tert-butyl N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]carbamate CAS Name: N-[2-[2-(1-adamantyl)ethyl-[oxo-(3-pyridin-4-ylpropylamino)methyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl]carbamate Traditional Name: N-[2-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C28H44N4O3 MolecularWeight: 484.67396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

InChI

InChI=1S/C28H44N4O3/c1-27(2,3)35-26(34)31-12-14-32(25(33)30-9-4-5-21-6-10-29-11-7-21)13-8-28-18-22-15-23(19-28)17-24(16-22)20-28/h6-7,10-11,22-24H,4-5,8-9,12-20H2,1-3H3,(H,30,33)(H,31,34)