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

Systemtic Name: 3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-oxazol-5-olate Openeye Name: 3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)isoxazol-5-olate CAS Name: 3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-5-isoxazololate IUPAC Name: 3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-oxazol-5-olate Traditional Name: 3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)isoxazol-5-olate Formula: C15H15N2O2- MolecularWeight: 255.2918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2=C(ON=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(=NCC1)C2=C(ON=C2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C15H16N2O2/c18-15-13(12-9-5-2-6-10-16-12)14(17-19-15)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2/p-1