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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(2-dimethylaminoethylamino)oxazole-4-carbonitrile Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CN(C)CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C23H25N5O3S/c1-27(2)14-12-25-23-21(15-24)26-22(31-23)18-7-9-20(10-8-18)32(29,30)28-13-11-17-5-3-4-6-19(17)16-28/h3-10,25H,11-14,16H2,1-2H3