3-(3-morpholin-4-ylphenyl)-4-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 3-(3-morpholin-4-ylphenyl)-4-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 3-(3-morpholinophenyl)-4-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 3-[3-(4-morpholinyl)phenyl]-4-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 3-(3-morpholin-4-ylphenyl)-4-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 3-(3-morpholinophenyl)-4-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC(=C2)C3=C4C(SCC(=O)N=C4NN3)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC=CC(=C2)C3=C4C(SCC(=O)N=C4NN3)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O2S/c27-18-14-29-21(15-5-2-1-3-6-15)19-20(24-25-22(19)23-18)16-7-4-8-17(13-16)26-9-11-28-12-10-26/h1-8,13,21H,9-12,14H2,(H2,23,24,25,27)