3-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-aniline

Systemtic Name: 3-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-aniline Openeye Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-aniline CAS Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylaniline IUPAC Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylaniline Traditional Name: (3-chloro-2-methyl-phenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)amine Formula: C17H18ClNO2 MolecularWeight: 303.78332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C17H18ClNO2/c1-12-14(18)6-3-7-15(12)19-11-13-5-2-8-16-17(13)21-10-4-9-20-16/h2-3,5-8,19H,4,9-11H2,1H3