N-[3-methyl-1-oxidanylidene-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[2-[4-(1-pyrazolyl)phenyl]ethylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N4O2/c1-18(2)24(30-26(33)27-15-20-12-21(16-27)14-22(13-20)17-27)25(32)28-10-8-19-4-6-23(7-5-19)31-11-3-9-29-31/h3-7,9,11,18,20-22,24H,8,10,12-17H2,1-2H3,(H,28,32)(H,30,33)