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

Systemtic Name: 5-(butan-2-ylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(sec-butylamino)oxazole-4-carbonitrile CAS Name: 5-(butan-2-ylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(butan-2-ylamino)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(sec-butylamino)oxazole-4-carbonitrile Formula: C23H24N4O3S MolecularWeight: 436.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CCC(C)NC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C23H24N4O3S/c1-3-16(2)25-23-21(14-24)26-22(30-23)18-8-10-20(11-9-18)31(28,29)27-13-12-17-6-4-5-7-19(17)15-27/h4-11,16,25H,3,12-13,15H2,1-2H3