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

Systemtic Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide Openeye Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]-N-propyl-adamantane-1-carboxamide CAS Name: N-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-N-propyl-1-adamantanecarboxamide IUPAC Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-N-propyladamantane-1-carboxamide Traditional Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]-N-propyl-adamantane-1-carboxamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O2/c1-2-13-34(30(37)31-18-22-14-23(19-31)16-24(15-22)20-31)21-29(36)32-28-17-27(25-9-5-3-6-10-25)33-35(28)26-11-7-4-8-12-26/h3-12,17,22-24H,2,13-16,18-21H2,1H3,(H,32,36)