N-[(2R)-3-methyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-3-methyl-1-oxo-1-[(1-phenyl-4-pyrazolyl)methylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O2/c1-17(2)23(29-25(32)26-11-18-8-19(12-26)10-20(9-18)13-26)24(31)27-14-21-15-28-30(16-21)22-6-4-3-5-7-22/h3-7,15-20,23H,8-14H2,1-2H3,(H,27,31)(H,29,32)/t18?,19?,20?,23-,26?/m1/s1