8-bromanyl-N-(3-ethynylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: 8-bromanyl-N-(3-ethynylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: 8-bromo-N-(3-ethynylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: 8-bromo-N-(3-ethynylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: 8-bromo-N-(3-ethynylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-(3-ethynylphenyl)amine Formula: C18H16BrNO MolecularWeight: 342.22974

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2CCCOC3=C2C=CC(=C3)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2CCCOC3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H16BrNO/c1-2-13-5-3-6-15(11-13)20-17-7-4-10-21-18-12-14(19)8-9-16(17)18/h1,3,5-6,8-9,11-12,17,20H,4,7,10H2