2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-[(3-phenylisoxazol-5-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-[(3-phenyl-5-isoxazolyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-[(3-phenylisoxazol-5-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2=CC(=NO2)C3=CC=CC=C3)N

Isomeric SMILES

C1CCC(=NC(C1)CC2=CC(=NO2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H19N3O/c17-16-9-5-4-8-13(18-16)10-14-11-15(19-20-14)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H2,17,18)