(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-o-phenetylpiperazino)methanone Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H25ClN2O4/c1-2-27-19-7-4-3-6-18(19)24-8-10-25(11-9-24)22(26)16-14-17(23)21-20(15-16)28-12-5-13-29-21/h3-4,6-7,14-15H,2,5,8-13H2,1H3