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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

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