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

Systemtic Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-butyl-N-[2-keto-2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]ethyl]adamantane-1-carboxamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N4O3/c1-3-4-14-36(32(39)33-19-23-15-24(20-33)17-25(16-23)21-33)22-31(38)34-30-18-29(26-8-6-5-7-9-26)35-37(30)27-10-12-28(40-2)13-11-27/h5-13,18,23-25H,3-4,14-17,19-22H2,1-2H3,(H,34,38)