[5-(azepan-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-(azepan-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-allyl-5-(azepan-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-(1-azepanyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-(azepan-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-allyl-5-(azepan-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C21H32N4OS MolecularWeight: 388.56998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)N3CCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)N3CCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C21H32N4OS/c1-2-9-25-19-8-7-17(23-10-5-3-4-6-11-23)16-18(19)20(22-25)21(26)24-12-14-27-15-13-24/h2,17H,1,3-16H2