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

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(4-ethyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(4-ethylpiperazino)oxazole-4-carbonitrile Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C25H27N5O3S/c1-2-28-13-15-29(16-14-28)25-23(17-26)27-24(33-25)20-7-9-22(10-8-20)34(31,32)30-12-11-19-5-3-4-6-21(19)18-30/h3-10H,2,11-16,18H2,1H3