3-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]propylamino]propyl N-tert-butyl-N-methyl-carbamate

Systemtic Name: 3-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]propylamino]propyl N-tert-butyl-N-methyl-carbamate Openeye Name: 3-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]propylamino]propyl N-tert-butyl-N-methyl-carbamate CAS Name: N-tert-butyl-N-methylcarbamic acid 3-[3-[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]propylamino]propyl ester IUPAC Name: 3-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]propylamino]propyl N-tert-butyl-N-methylcarbamate Traditional Name: N-tert-butyl-N-methyl-carbamic acid 3-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]propylamino]propyl ester Formula: C29H45ClN4O3 MolecularWeight: 533.1456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C(=O)OCCCNCCCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC(C)(C)N(C)C(=O)OCCCNCCCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C29H45ClN4O3/c1-28(2,3)34(4)27(36)37-10-6-9-31-8-5-7-23-14-24(25(30)18-32-23)26(35)33-19-29-15-20-11-21(16-29)13-22(12-20)17-29/h14,18,20-22,31H,5-13,15-17,19H2,1-4H3,(H,33,35)