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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C22H23N5O3S MolecularWeight: 437.51472

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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=CN=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c23-14-20-22(25-16-17-6-5-11-24-15-17)30-21(26-20)18-7-9-19(10-8-18)31(28,29)27-12-3-1-2-4-13-27/h5-11,15,25H,1-4,12-13,16H2