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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)N3CCSCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)N3CCSCC3)C(=N1)C(=O)N4CCCCCC4

InChI

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