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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Traditional Name: (4-benzylpiperazino)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H23ClN2O3/c22-18-13-17(14-19-20(18)27-12-4-11-26-19)21(25)24-9-7-23(8-10-24)15-16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12,15H2