N-(3-ethynylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: N-(3-ethynylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: N-(3-ethynylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: N-(3-ethynylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: N-(3-ethynylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (3-ethynylphenyl)-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amine Formula: C19H19NO MolecularWeight: 277.36026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C19H19NO/c1-3-15-8-5-9-16(13-15)20-18-11-6-12-21-19-14(2)7-4-10-17(18)19/h1,4-5,7-10,13,18,20H,6,11-12H2,2H3