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

Systemtic Name: N-(2-chloranyl-4-iodanyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: N-(2-chloro-4-iodo-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: N-(2-chloro-4-iodophenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: N-(2-chloro-4-iodophenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (2-chloro-4-iodo-phenyl)-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amine Formula: C17H17ClINO MolecularWeight: 413.68045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NC3=C(C=C(C=C3)I)Cl

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NC3=C(C=C(C=C3)I)Cl

InChI

InChI=1S/C17H17ClINO/c1-11-4-2-5-13-15(6-3-9-21-17(11)13)20-16-8-7-12(19)10-14(16)18/h2,4-5,7-8,10,15,20H,3,6,9H2,1H3