5-(2,6-dimethoxyphenyl)-1-[4-(2-dimethylaminoethylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-[4-(2-dimethylaminoethylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-[4-(2-dimethylaminoethylcarbamoyl)-1-naphthyl]pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-[4-[(2-dimethylaminoethylamino)-oxomethyl]-1-naphthalenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-[4-(2-dimethylaminoethylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-[4-(2-dimethylaminoethylcarbamoyl)-1-naphthyl]pyrazole-3-carboxylic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=C(C2=CC=CC=C21)N3C(=CC(=N3)C(=O)O)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=C(C2=CC=CC=C21)N3C(=CC(=N3)C(=O)O)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C27H28N4O5/c1-30(2)15-14-28-26(32)19-12-13-21(18-9-6-5-8-17(18)19)31-22(16-20(29-31)27(33)34)25-23(35-3)10-7-11-24(25)36-4/h5-13,16H,14-15H2,1-4H3,(H,28,32)(H,33,34)