[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C26H23FN4O3S MolecularWeight: 490.549223

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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=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H23FN4O3S/c27-20-8-10-21(11-9-20)35(33,34)31-14-4-13-30(15-16-31)26(32)23-17-25(19-5-3-12-28-18-19)29-24-7-2-1-6-22(23)24/h1-3,5-12,17-18H,4,13-16H2