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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(diethylamino)propylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(diethylamino)propylamino]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[3-(diethylamino)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(diethylamino)propylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(diethylamino)propylamino]oxazole-4-carbonitrile Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

CCN(CC)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C23H33N5O3S/c1-3-27(4-2)15-9-14-25-23-21(18-24)26-22(31-23)19-10-12-20(13-11-19)32(29,30)28-16-7-5-6-8-17-28/h10-13,25H,3-9,14-17H2,1-2H3