[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone Formula: C21H21FN4O3S MolecularWeight: 428.479843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H21FN4O3S/c22-18-5-9-20(10-6-18)30(28,29)25-13-2-12-24(15-16-25)21(27)17-3-7-19(8-4-17)26-14-1-11-23-26/h1,3-11,14H,2,12-13,15-16H2