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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3,5-dimethyl-1-piperidyl)oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3,5-dimethyl-1-piperidinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(3,5-dimethylpiperidino)oxazole-4-carbonitrile Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N)C

InChI

InChI=1S/C26H28N4O3S/c1-18-13-19(2)16-29(15-18)26-24(14-27)28-25(33-26)21-7-9-23(10-8-21)34(31,32)30-12-11-20-5-3-4-6-22(20)17-30/h3-10,18-19H,11-13,15-17H2,1-2H3