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

Systemtic Name: azepan-1-yl-[5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C24H31N5OS/c1-2-29-20-12-11-17(25-16-22-26-19-9-5-6-10-21(19)31-22)15-18(20)23(27-29)24(30)28-13-7-3-4-8-14-28/h5-6,9-10,17,25H,2-4,7-8,11-16H2,1H3