N-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]butyl]adamantane-1-carboxamide Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O3/c1-17-23(24(32)30(29(17)2)21-7-4-3-5-8-21)28-22(31)9-6-10-27-25(33)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-5,7-8,18-20H,6,9-16H2,1-2H3,(H,27,33)(H,28,31)