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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(4-methoxyphenyl)methylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(4-methoxyphenyl)methylamino]oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(4-methoxyphenyl)methylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(4-methoxyphenyl)methylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(p-anisylamino)oxazole-4-carbonitrile Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C27H24N4O4S/c1-34-23-10-6-19(7-11-23)17-29-27-25(16-28)30-26(35-27)21-8-12-24(13-9-21)36(32,33)31-15-14-20-4-2-3-5-22(20)18-31/h2-13,29H,14-15,17-18H2,1H3