N-[3-(1-adamantylcarbonylamino)-5-(1,3-benzoxazol-2-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbonylamino)-5-(1,3-benzoxazol-2-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(adamantane-1-carbonylamino)-5-(1,3-benzoxazol-2-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]-5-(1,3-benzoxazol-2-yl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(adamantane-1-carbonylamino)-5-(1,3-benzoxazol-2-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(adamantane-1-carbonylamino)-5-(1,3-benzoxazol-2-yl)phenyl]adamantane-1-carboxamide Formula: C35H39N3O3 MolecularWeight: 549.70246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)C5=NC6=CC=CC=C6O5)NC(=O)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)C5=NC6=CC=CC=C6O5)NC(=O)C78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C35H39N3O3/c39-32(34-14-20-5-21(15-34)7-22(6-20)16-34)36-27-11-26(31-38-29-3-1-2-4-30(29)41-31)12-28(13-27)37-33(40)35-17-23-8-24(18-35)10-25(9-23)19-35/h1-4,11-13,20-25H,5-10,14-19H2,(H,36,39)(H,37,40)