ethyl 4-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)benzoate

Systemtic Name: ethyl 4-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)benzoate Openeye Name: ethyl 4-[3-(2-pyridyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate CAS Name: 4-[3-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)benzoate Traditional Name: 4-[3-(2-pyridyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3O2/c1-2-26-21(25)15-10-12-16(13-11-15)24-19-9-4-3-7-17(19)20(23-24)18-8-5-6-14-22-18/h5-6,8,10-14H,2-4,7,9H2,1H3