methyl 3-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-1-benzoxepine-2-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-1-benzoxepine-2-carboxylate Openeye Name: methyl 3-oxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-1-benzoxepine-2-carboxylate CAS Name: 3-oxo-2-[3-(4-phenyl-1-piperazinyl)propyl]-4,5-dihydro-1-benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-1-benzoxepine-2-carboxylate Traditional Name: 3-keto-2-[3-(4-phenylpiperazino)propyl]-4,5-dihydro-1-benzoxepin-2-carboxylic acid methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(=O)CCC2=CC=CC=C2O1)CCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(C(=O)CCC2=CC=CC=C2O1)CCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O4/c1-30-24(29)25(23(28)13-12-20-8-5-6-11-22(20)31-25)14-7-15-26-16-18-27(19-17-26)21-9-3-2-4-10-21/h2-6,8-11H,7,12-19H2,1H3