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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: N-(3-chloro-2-methyl-phenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: N-(3-chloro-2-methylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: N-(3-chloro-2-methylphenyl)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (3-chloro-2-methyl-phenyl)-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amine Formula: C18H20ClNO MolecularWeight: 301.8105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO/c1-12-6-3-7-14-17(10-5-11-21-18(12)14)20-16-9-4-8-15(19)13(16)2/h3-4,6-9,17,20H,5,10-11H2,1-2H3