3-azanyl-N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-fluorophenyl)-1-[(2-methyl-1-imidazolyl)sulfonyl]-4-azepanyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylazepan-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonyl-azepan-4-yl]methyl]pyrazinamide Formula: C22H26FN7O3S MolecularWeight: 487.550343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1S(=O)(=O)N2CCCC(CC2)(CNC(=O)C3=NC=CN=C3N)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC=CN1S(=O)(=O)N2CCCC(CC2)(CNC(=O)C3=NC=CN=C3N)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H26FN7O3S/c1-16-25-10-13-30(16)34(32,33)29-11-3-6-22(7-12-29,17-4-2-5-18(23)14-17)15-28-21(31)19-20(24)27-9-8-26-19/h2,4-5,8-10,13-14H,3,6-7,11-12,15H2,1H3,(H2,24,27)(H,28,31)