[5-[(3-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[(3-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[(3-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-[(3-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[(3-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-(m-anisylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=CC(=CC=C3)OC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=CC(=CC=C3)OC)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C21H28N4O2S/c1-24-19-7-6-16(22-14-15-4-3-5-17(12-15)27-2)13-18(19)20(23-24)21(26)25-8-10-28-11-9-25/h3-5,12,16,22H,6-11,13-14H2,1-2H3