2-(1-adamantyl)-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(E)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(1-adamantyl)-N-[(E)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(E)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-(1-adamantyl)-N-[(E)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NN=CC4=CN(N=C4C5=CN=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)N/N=C/C4=CN(N=C4C5=CN=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C28H31N5O/c34-26(15-28-12-21-9-22(13-28)11-23(10-21)14-28)31-30-17-25-19-33(18-20-5-2-1-3-6-20)32-27(25)24-7-4-8-29-16-24/h1-8,16-17,19,21-23H,9-15,18H2,(H,31,34)/b30-17+