2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[methyl-(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[methyl-(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[benzyl(methyl)amino]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[methyl-(phenylmethyl)amino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[benzyl(methyl)amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[benzyl(methyl)amino]oxazole-4-carbonitrile Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C24H26N4O3S/c1-27(18-19-9-5-4-6-10-19)24-22(17-25)26-23(31-24)20-11-13-21(14-12-20)32(29,30)28-15-7-2-3-8-16-28/h4-6,9-14H,2-3,7-8,15-16,18H2,1H3