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

Systemtic Name: [5-[(4-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[(4-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-[(4-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[(4-methoxyphenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-methyl-5-(p-anisylamino)-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=C(C=C3)OC)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

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

InChI

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