2-(2-methoxyethylamino)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-(2-methoxyethylamino)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(2-methoxyethylamino)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-(2-methoxyethylamino)-7-[(4-phenyl-1-piperazinyl)methyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(2-methoxyethylamino)-7-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-(2-methoxyethylamino)-7-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C21H27N3O2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=CC=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COCCNC1=CC=CC=C(C1=O)CN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-26-16-11-22-20-10-6-5-7-18(21(20)25)17-23-12-14-24(15-13-23)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)