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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CC(C)CNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C23H24N4O3S/c1-16(2)14-25-23-21(13-24)26-22(30-23)18-7-9-20(10-8-18)31(28,29)27-12-11-17-5-3-4-6-19(17)15-27/h3-10,16,25H,11-12,14-15H2,1-2H3