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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)OC(=N5)C6=CC(=CC=C6)NC(=O)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)OC(=N5)C6=CC(=CC=C6)NC(=O)C78CC9CC(C7)CC(C9)C8

InChI

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