methyl 2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylate

Systemtic Name: methyl 2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylate Openeye Name: methyl 2-[[5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylate CAS Name: 2-[[[5-(2,6-dimethoxyphenyl)-1-(1-naphthalenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]adamantane-2-carboxylate Traditional Name: 2-[[5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid methyl ester Formula: C34H35N3O5 MolecularWeight: 565.6588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=CC=CC=C43)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=CC4=CC=CC=C43)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)OC

InChI

InChI=1S/C34H35N3O5/c1-40-29-12-7-13-30(41-2)31(29)28-19-26(36-37(28)27-11-6-9-22-8-4-5-10-25(22)27)32(38)35-34(33(39)42-3)23-15-20-14-21(17-23)18-24(34)16-20/h4-13,19-21,23-24H,14-18H2,1-3H3,(H,35,38)