azepan-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-propyl-5-(thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-propyl-5-(2-thiazolylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-propyl-5-(1,3-thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-propyl-5-(thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)NCC3=NC=CS3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCCN1C2=C(CC(CC2)NCC3=NC=CS3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H31N5OS/c1-2-10-26-18-8-7-16(23-15-19-22-9-13-28-19)14-17(18)20(24-26)21(27)25-11-5-3-4-6-12-25/h9,13,16,23H,2-8,10-12,14-15H2,1H3