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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: N-(2-bromo-4-methyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: N-(2-bromo-4-methylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: N-(2-bromo-4-methylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (2-bromo-4-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(=C(C=C1)NC2CCCOC3=C2C=CC=C3C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2CCCOC3=C2C=CC=C3C)Br

InChI

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