2-(1-adamantyl)-N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(1-adamantyl)-N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-(1-adamantyl)-N-[(E)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)C=NNC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)/C=N/NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H36N4O3/c1-3-37-26-9-11-27(12-10-26)38-30-28(21(2)34-35(30)25-7-5-4-6-8-25)20-32-33-29(36)19-31-16-22-13-23(17-31)15-24(14-22)18-31/h4-12,20,22-24H,3,13-19H2,1-2H3,(H,33,36)/b32-20+