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

Systemtic Name: 5-(azepan-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 5-(azepan-1-yl)-1-methyl-N-(2-thienylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 5-(1-azepanyl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 5-(azepan-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 5-(azepan-1-yl)-1-methyl-N-(2-thenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)N3CCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(CC(CC2)N3CCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H28N4OS/c1-23-18-9-8-15(24-10-4-2-3-5-11-24)13-17(18)19(22-23)20(25)21-14-16-7-6-12-26-16/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,21,25)