1-(azepan-1-yl)-2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(7-chloropiperonyloyl)piperazino]ethanone Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H26ClN3O4/c21-16-11-15(12-17-19(16)28-14-27-17)20(26)24-9-7-22(8-10-24)13-18(25)23-5-3-1-2-4-6-23/h11-12H,1-10,13-14H2