3-ethyl-1-(4-methylsulfonylphenyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one

Systemtic Name: 3-ethyl-1-(4-methylsulfonylphenyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Openeye Name: 3-ethyl-1-(4-methylsulfonylphenyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one CAS Name: 3-ethyl-1-(4-methylsulfonylphenyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one IUPAC Name: 3-ethyl-1-(4-methylsulfonylphenyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Traditional Name: 3-ethyl-1-(4-mesylphenyl)-7-phenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=NN(C2=C1C(=O)NCC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H20N4O3S/c1-3-17-19-20(23-18(13-22-21(19)26)14-7-5-4-6-8-14)25(24-17)15-9-11-16(12-10-15)29(2,27)28/h4-12H,3,13H2,1-2H3,(H,22,26)