N-methyl-5-(1,2-oxazol-3-ylmethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: N-methyl-5-(1,2-oxazol-3-ylmethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 5-(isoxazol-3-ylmethylamino)-N-methyl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 5-(3-isoxazolylmethylamino)-N-methyl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: N-methyl-5-(1,2-oxazol-3-ylmethylamino)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 5-(isoxazol-3-ylmethylamino)-N-methyl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)NCC3=NOC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C2=C1CC(CC2)NCC3=NOC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-22-21(27)20-18-13-16(23-14-17-10-12-28-25-17)7-8-19(18)26(24-20)11-9-15-5-3-2-4-6-15/h2-6,10,12,16,23H,7-9,11,13-14H2,1H3,(H,22,27)