3-[(3-phenyl-1,2-oxazol-4-yl)methyl]azepin-2-imine

Systemtic Name: 3-[(3-phenyl-1,2-oxazol-4-yl)methyl]azepin-2-imine Openeye Name: 3-[(3-phenylisoxazol-4-yl)methyl]azepin-2-imine CAS Name: 3-[(3-phenyl-4-isoxazolyl)methyl]-2-azepinimine IUPAC Name: 3-[(3-phenyl-1,2-oxazol-4-yl)methyl]azepin-2-imine Traditional Name: [3-[(3-phenylisoxazol-4-yl)methyl]azepin-2-ylidene]amine Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC=C2CC3=CC=CC=NC3=N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC=C2CC3=CC=CC=NC3=N

InChI

InChI=1S/C16H13N3O/c17-16-13(8-4-5-9-18-16)10-14-11-20-19-15(14)12-6-2-1-3-7-12/h1-9,11,17H,10H2