5-(1-adamantyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)/C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H28N4O2/c1-14(18-3-5-19(29-2)6-4-18)24-27-22(28)20-10-21(26-25-20)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,10,15-17H,7-9,11-13H2,1-2H3,(H,25,26)(H,27,28)/b24-14-