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

Systemtic Name: methyl 1-[5-aminocarbonyl-3-(2,6-dimethoxyphenyl)-2-naphthalen-1-yl-3H-pyrazol-1-yl]adamantane-2-carboxylate Openeye Name: methyl 1-[5-carbamoyl-3-(2,6-dimethoxyphenyl)-2-(1-naphthyl)-3H-pyrazol-1-yl]adamantane-2-carboxylate CAS Name: 1-[5-carbamoyl-3-(2,6-dimethoxyphenyl)-2-(1-naphthalenyl)-3H-pyrazol-1-yl]-2-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-carbamoyl-3-(2,6-dimethoxyphenyl)-2-naphthalen-1-yl-3H-pyrazol-1-yl]adamantane-2-carboxylate Traditional Name: 1-[5-carbamoyl-3-(2,6-dimethoxyphenyl)-2-(1-naphthyl)-3-pyrazolin-1-yl]adamantane-2-carboxylic acid methyl ester Formula: C34H37N3O5 MolecularWeight: 567.67468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2C=C(N(N2C3=CC=CC4=CC=CC=C43)C56CC7CC(C5)CC(C7)C6C(=O)OC)C(=O)N

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2C=C(N(N2C3=CC=CC4=CC=CC=C43)C56CC7CC(C5)CC(C7)C6C(=O)OC)C(=O)N

InChI

InChI=1S/C34H37N3O5/c1-40-28-12-7-13-29(41-2)30(28)26-17-27(32(35)38)37(36(26)25-11-6-9-22-8-4-5-10-24(22)25)34-18-20-14-21(19-34)16-23(15-20)31(34)33(39)42-3/h4-13,17,20-21,23,26,31H,14-16,18-19H2,1-3H3,(H2,35,38)