N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C26H34N4O2 MolecularWeight: 434.57376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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