2-(4-methylphenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-1,3-oxazol-5-one

Systemtic Name: 2-(4-methylphenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-1,3-oxazol-5-one Openeye Name: 2-(p-tolyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-oxazol-5-one CAS Name: 2-(4-methylphenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-oxazol-5-one IUPAC Name: 2-(4-methylphenyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4H-1,3-oxazol-5-one Traditional Name: 2-(p-tolyl)-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-2-oxazolin-5-one Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(C(=O)O2)C3=NCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(C(=O)O2)C3=NCCCCC3

InChI

InChI=1S/C16H18N2O2/c1-11-6-8-12(9-7-11)15-18-14(16(19)20-15)13-5-3-2-4-10-17-13/h6-9,14H,2-5,10H2,1H3