bicyclo[4.1.0]hepta-1,3,5-trien-7-one; N-chloranyl-3-methyl-N-propyl-aniline

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; N-chloranyl-3-methyl-N-propyl-aniline Openeye Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; N-chloro-3-methyl-N-propyl-aniline CAS Name: 7-bicyclo[4.1.0]hepta-1,3,5-trienone; N-chloro-3-methyl-N-propylaniline IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; N-chloro-3-methyl-N-propylaniline Traditional Name: bicyclo[4.1.0]hepta-1,3,5-trien-7-one; chloro-(m-tolyl)-propyl-amine Formula: C17H18ClNO MolecularWeight: 287.78392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)C)Cl.C1=CC=C2C(=C1)C2=O

Isomeric SMILES

CCCN(C1=CC=CC(=C1)C)Cl.C1=CC=C2C(=C1)C2=O

InChI

InChI=1S/C10H14ClN.C7H4O/c1-3-7-12(11)10-6-4-5-9(2)8-10;8-7-5-3-1-2-4-6(5)7/h4-6,8H,3,7H2,1-2H3;1-4H