2-(4-methylpiperazin-1-yl)ethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate

Systemtic Name: 2-(4-methylpiperazin-1-yl)ethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Openeye Name: 2-(4-methylpiperazin-1-yl)ethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate CAS Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-methylpiperazin-1-yl)ethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Traditional Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid 2-(4-methylpiperazino)ethyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC(=O)C2(CCCOC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCOC(=O)C2(CCCOC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3/c1-25-13-15-26(16-14-25)17-19-29-23(27)24(20-8-3-2-4-9-20)12-7-18-28-22-11-6-5-10-21(22)24/h2-6,8-11H,7,12-19H2,1H3