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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)oxazole-4-carbonitrile Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCCCN5C=CN=C5)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCCCN5C=CN=C5)C#N

InChI

InChI=1S/C25H24N6O3S/c26-16-23-25(28-11-3-13-30-15-12-27-18-30)34-24(29-23)20-6-8-22(9-7-20)35(32,33)31-14-10-19-4-1-2-5-21(19)17-31/h1-2,4-9,12,15,18,28H,3,10-11,13-14,17H2