5-(cyclohexylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(cyclohexylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(cyclohexylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-(cyclohexylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(cyclohexylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(cyclohexylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]oxazole-4-carbonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C25H26N4O3S/c26-16-23-25(27-21-8-2-1-3-9-21)32-24(28-23)19-10-12-22(13-11-19)33(30,31)29-15-14-18-6-4-5-7-20(18)17-29/h4-7,10-13,21,27H,1-3,8-9,14-15,17H2