tert-butyl N-[3-[[3-(1-adamantyl)propyl-aminocarbonyl-amino]methyl]-4-pyridin-4-yl-butan-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[3-[[3-(1-adamantyl)propyl-aminocarbonyl-amino]methyl]-4-pyridin-4-yl-butan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-[[3-(1-adamantyl)propyl-carbamoyl-amino]methyl]-1-methyl-3-(4-pyridyl)propyl]-N-methyl-carbamate CAS Name: N-[3-[[3-(1-adamantyl)propyl-carbamoylamino]methyl]-4-pyridin-4-ylbutan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[3-(1-adamantyl)propyl-carbamoylamino]methyl]-4-pyridin-4-ylbutan-2-yl]-N-methylcarbamate Traditional Name: N-[2-[[3-(1-adamantyl)propyl-carbamoyl-amino]methyl]-1-methyl-3-(4-pyridyl)propyl]-N-methyl-carbamic acid tert-butyl ester Formula: C30H48N4O3 MolecularWeight: 512.72712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=NC=C1)CN(CCCC23CC4CC(C2)CC(C4)C3)C(=O)N)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(CC1=CC=NC=C1)CN(CCCC23CC4CC(C2)CC(C4)C3)C(=O)N)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H48N4O3/c1-21(33(5)28(36)37-29(2,3)4)26(16-22-7-10-32-11-8-22)20-34(27(31)35)12-6-9-30-17-23-13-24(18-30)15-25(14-23)19-30/h7-8,10-11,21,23-26H,6,9,12-20H2,1-5H3,(H2,31,35)