3-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(3,4-dichlorobenzyl)pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H29Cl2N5O MolecularWeight: 546.49016

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)CC6=CC(=C(C=C6)Cl)Cl)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)CC6=CC(=C(C=C6)Cl)Cl)C7=CC=CC=C7

InChI

InChI=1S/C30H29Cl2N5O/c31-26-7-6-19(11-27(26)32)16-36-17-23(15-33-36)34-29(38)25-18-37(24-4-2-1-3-5-24)35-28(25)30-12-20-8-21(13-30)10-22(9-20)14-30/h1-7,11,15,17-18,20-22H,8-10,12-14,16H2,(H,34,38)