ethyl 3-(1-phenylethylcarbamoyl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl 3-(1-phenylethylcarbamoyl)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl 1-benzyl-3-(1-phenylethylcarbamoyl)-4,5,6,7-tetrahydroindazole-5-carboxylate CAS Name: 3-[oxo-(1-phenylethylamino)methyl]-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(1-phenylethylcarbamoyl)-4,5,6,7-tetrahydroindazole-5-carboxylate Traditional Name: 1-benzyl-3-(1-phenylethylcarbamoyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1)C(=NN2CC3=CC=CC=C3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1)C(=NN2CC3=CC=CC=C3)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-3-32-26(31)21-14-15-23-22(16-21)24(28-29(23)17-19-10-6-4-7-11-19)25(30)27-18(2)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,27,30)