3-(1-adamantyl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(1-benzyl-4-chloropyrazol-3-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C30H30ClN5O MolecularWeight: 512.0451

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=C5Cl)CC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=C5Cl)CC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C30H30ClN5O/c31-26-19-35(17-20-7-3-1-4-8-20)34-28(26)32-29(37)25-18-36(24-9-5-2-6-10-24)33-27(25)30-14-21-11-22(15-30)13-23(12-21)16-30/h1-10,18-19,21-23H,11-17H2,(H,32,34,37)