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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: N-(4-bromo-3-methyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: N-(4-bromo-3-methylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: N-(4-bromo-3-methylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (4-bromo-3-methyl-phenyl)-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amine Formula: C18H20BrNO MolecularWeight: 346.2615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO/c1-12-5-3-6-15-17(7-4-10-21-18(12)15)20-14-8-9-16(19)13(2)11-14/h3,5-6,8-9,11,17,20H,4,7,10H2,1-2H3