2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-fluorophenyl)methylamino]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[(4-fluorophenyl)methylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-fluorobenzyl)amino]oxazole-4-carbonitrile Formula: C23H23FN4O3S MolecularWeight: 454.517123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C23H23FN4O3S/c24-19-9-5-17(6-10-19)16-26-23-21(15-25)27-22(31-23)18-7-11-20(12-8-18)32(29,30)28-13-3-1-2-4-14-28/h5-12,26H,1-4,13-14,16H2