N-butyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-butyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-butyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-butyl-N-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-butyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-butyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C32H38N4O2 MolecularWeight: 510.66972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H38N4O2/c1-2-3-14-35(31(38)32-19-23-15-24(20-32)17-25(16-23)21-32)22-30(37)33-29-18-28(26-10-6-4-7-11-26)34-36(29)27-12-8-5-9-13-27/h4-13,18,23-25H,2-3,14-17,19-22H2,1H3,(H,33,37)