3-(4-azanyl-3-methyl-phenyl)-2-bromanyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one

Systemtic Name: 3-(4-azanyl-3-methyl-phenyl)-2-bromanyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one Openeye Name: 3-(4-amino-3-methyl-phenyl)-2-bromo-4,5,6,6a-tetrahydro-3aH-pentalen-1-one CAS Name: 3-(4-amino-3-methylphenyl)-2-bromo-4,5,6,6a-tetrahydro-3aH-pentalen-1-one IUPAC Name: 3-(4-amino-3-methylphenyl)-2-bromo-4,5,6,6a-tetrahydro-3aH-pentalen-1-one Traditional Name: 3-(4-amino-3-methyl-phenyl)-2-bromo-4,5,6,6a-tetrahydro-3aH-pentalen-1-one Formula: C15H16BrNO MolecularWeight: 306.19764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(=O)C3C2CCC3)Br)N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(=O)C3C2CCC3)Br)N

InChI

InChI=1S/C15H16BrNO/c1-8-7-9(5-6-12(8)17)13-10-3-2-4-11(10)15(18)14(13)16/h5-7,10-11H,2-4,17H2,1H3