ethyl 2,4-dimethyl-5-[[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CCCC3=C2C=NN3C4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N[C@H]2CCCC3=C2C=NN3C4=CC=CC=N4)C

InChI

InChI=1S/C22H25N5O3/c1-4-30-22(29)19-13(2)20(25-14(19)3)21(28)26-16-8-7-9-17-15(16)12-24-27(17)18-10-5-6-11-23-18/h5-6,10-12,16,25H,4,7-9H2,1-3H3,(H,26,28)/t16-/m0/s1