1-methyl-5-(phenethylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: 1-methyl-5-(phenethylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 1-methyl-5-(phenethylamino)-N-(2-thienylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 1-methyl-5-(phenethylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 1-methyl-5-(phenethylamino)-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-methyl-5-(phenethylamino)-N-(2-thenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCCC3=CC=CC=C3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(CC(CC2)NCCC3=CC=CC=C3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H26N4OS/c1-26-20-10-9-17(23-12-11-16-6-3-2-4-7-16)14-19(20)21(25-26)22(27)24-15-18-8-5-13-28-18/h2-8,13,17,23H,9-12,14-15H2,1H3,(H,24,27)