N-[4-[4-(1-adamantylcarbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(1-adamantylcarbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[[1-adamantyl(oxo)methyl]amino]-3-methylphenyl]-2-methylphenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methylphenyl]-2-methylphenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]adamantane-1-carboxamide Formula: C36H44N2O2 MolecularWeight: 536.74676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C36H44N2O2/c1-21-7-29(3-5-31(21)37-33(39)35-15-23-9-24(16-35)11-25(10-23)17-35)30-4-6-32(22(2)8-30)38-34(40)36-18-26-12-27(19-36)14-28(13-26)20-36/h3-8,23-28H,9-20H2,1-2H3,(H,37,39)(H,38,40)