5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C25H26N4O3S/c1-18-10-14-29(15-11-18)33(30,31)22-8-6-20(7-9-22)24-27-23(16-26)25(32-24)28-13-12-19-4-2-3-5-21(19)17-28/h2-9,18H,10-15,17H2,1H3