tert-butyl N-[3-[[4-(1-adamantylmethylcarbamoyl)-3-chloranyl-pyridin-2-yl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[4-(1-adamantylmethylcarbamoyl)-3-chloranyl-pyridin-2-yl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[[4-(1-adamantylmethylcarbamoyl)-3-chloro-2-pyridyl]amino]propyl]carbamate CAS Name: N-[3-[[4-[(1-adamantylmethylamino)-oxomethyl]-3-chloro-2-pyridinyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[4-(1-adamantylmethylcarbamoyl)-3-chloropyridin-2-yl]amino]propyl]carbamate Traditional Name: N-[3-[[4-(1-adamantylmethylcarbamoyl)-3-chloro-2-pyridyl]amino]propyl]carbamic acid tert-butyl ester Formula: C25H37ClN4O3 MolecularWeight: 477.03928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC1=NC=CC(=C1Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=NC=CC(=C1Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H37ClN4O3/c1-24(2,3)33-23(32)29-7-4-6-27-21-20(26)19(5-8-28-21)22(31)30-15-25-12-16-9-17(13-25)11-18(10-16)14-25/h5,8,16-18H,4,6-7,9-15H2,1-3H3,(H,27,28)(H,29,32)(H,30,31)