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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C25H21N5O3S MolecularWeight: 471.53094

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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)NCC5=CN=CC=C5)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC(=C(O4)NCC5=CN=CC=C5)C#N

InChI

InChI=1S/C25H21N5O3S/c26-14-23-25(28-16-18-4-3-12-27-15-18)33-24(29-23)20-7-9-22(10-8-20)34(31,32)30-13-11-19-5-1-2-6-21(19)17-30/h1-10,12,15,28H,11,13,16-17H2