3-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C37H41N3O4 MolecularWeight: 591.73914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)OCC

InChI

InChI=1S/C37H41N3O4/c1-3-42-33-15-10-25(19-34(33)43-4-2)24-44-31-13-11-29(12-14-31)38-36(41)32-23-40(30-8-6-5-7-9-30)39-35(32)37-20-26-16-27(21-37)18-28(17-26)22-37/h5-15,19,23,26-28H,3-4,16-18,20-22,24H2,1-2H3,(H,38,41)