5-(2,6-dimethoxyphenyl)-1-[(4-nitronaphthalen-1-yl)-(1H-pyrazol-5-ylcarbonyl)amino]adamantane-2-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-[(4-nitronaphthalen-1-yl)-(1H-pyrazol-5-ylcarbonyl)amino]adamantane-2-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-[(4-nitro-1-naphthyl)-(1H-pyrazole-5-carbonyl)amino]adamantane-2-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-[(4-nitro-1-naphthalenyl)-[oxo(1H-pyrazol-5-yl)methyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-[(4-nitronaphthalen-1-yl)-(1H-pyrazole-5-carbonyl)amino]adamantane-2-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-[(4-nitro-1-naphthyl)-(1H-pyrazole-5-carbonyl)amino]adamantane-2-carboxylic acid Formula: C33H32N4O7 MolecularWeight: 596.62978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C23CC4CC(C2)C(C(C4)(C3)N(C5=CC=C(C6=CC=CC=C65)[N+](=O)[O-])C(=O)C7=CC=NN7)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C23CC4CC(C2)C(C(C4)(C3)N(C5=CC=C(C6=CC=CC=C65)[N+](=O)[O-])C(=O)C7=CC=NN7)C(=O)O

InChI

InChI=1S/C33H32N4O7/c1-43-26-8-5-9-27(44-2)29(26)32-15-19-14-20(17-32)28(31(39)40)33(16-19,18-32)36(30(38)23-12-13-34-35-23)24-10-11-25(37(41)42)22-7-4-3-6-21(22)24/h3-13,19-20,28H,14-18H2,1-2H3,(H,34,35)(H,39,40)