methyl 3-[[1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate

Systemtic Name: methyl 3-[[1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Openeye Name: methyl 3-[[1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate CAS Name: 3-[[1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propanoate Traditional Name: 3-[[1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]amino]propionic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCCC(=O)OC)C(=N1)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(CC(CC2)NCCC(=O)OC)C(=N1)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-25-18-9-8-16(22-13-11-19(26)28-2)14-17(18)20(24-25)21(27)23-12-10-15-6-4-3-5-7-15/h3-7,16,22H,8-14H2,1-2H3,(H,23,27)