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

Systemtic Name: tert-butyl N-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]carbamate Openeye Name: tert-butyl N-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]carbamate CAS Name: N-[2-(1-adamantyl)ethyl-[oxo-(3-pyridin-4-ylpropylamino)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1-adamantyl)ethyl-(3-pyridin-4-ylpropylcarbamoyl)amino]carbamate Traditional Name: N-[2-(1-adamantyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]carbamic acid tert-butyl ester Formula: C26H40N4O3 MolecularWeight: 456.6208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O3/c1-25(2,3)33-24(32)29-30(23(31)28-9-4-5-19-6-10-27-11-7-19)12-8-26-16-20-13-21(17-26)15-22(14-20)18-26/h6-7,10-11,20-22H,4-5,8-9,12-18H2,1-3H3,(H,28,31)(H,29,32)