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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)oxazole-4-carbonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC5=CC=CC=C5C4)C#N

InChI

InChI=1S/C25H26N4O3S/c26-17-23-25(28-16-13-19-7-3-4-8-21(19)18-28)32-24(27-23)20-9-11-22(12-10-20)33(30,31)29-14-5-1-2-6-15-29/h3-4,7-12H,1-2,5-6,13-16,18H2