7-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-[4-(4-methyl-1-piperazinyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-[4-(4-methylpiperazino)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC(=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(C=C3)OCCC(=C4)C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-23-9-11-24(12-10-23)20-5-2-16(3-6-20)17-4-7-21-19(14-17)15-18(22(25)26)8-13-27-21/h2-7,14-15H,8-13H2,1H3,(H,25,26)