5-(1-adamantyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(Z)-[4-(diethylamino)phenyl]methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(Z)-[4-(diethylamino)benzylidene]amino]-1H-pyrazole-3-carboxamide Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=N\NC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N5O/c1-3-30(4-2)21-7-5-17(6-8-21)16-26-29-24(31)22-12-23(28-27-22)25-13-18-9-19(14-25)11-20(10-18)15-25/h5-8,12,16,18-20H,3-4,9-11,13-15H2,1-2H3,(H,27,28)(H,29,31)/b26-16-