N-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: N-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: N-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: N-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (4-chlorobenzyl)-(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=C1OCCCC2NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO/c1-13-4-2-5-16-17(6-3-11-21-18(13)16)20-12-14-7-9-15(19)10-8-14/h2,4-5,7-10,17,20H,3,6,11-12H2,1H3