1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-fluorophenyl)carbonyl-piperazin-2-one

Systemtic Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-fluorophenyl)carbonyl-piperazin-2-one Openeye Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-fluorobenzoyl)piperazin-2-one CAS Name: 1-[4-[3-(1-azepanyl)propoxy]phenyl]-4-[(4-fluorophenyl)-oxomethyl]-2-piperazinone IUPAC Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-fluorobenzoyl)piperazin-2-one Traditional Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-fluorobenzoyl)piperazin-2-one Formula: C26H32FN3O3 MolecularWeight: 453.548983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O3/c27-22-8-6-21(7-9-22)26(32)29-17-18-30(25(31)20-29)23-10-12-24(13-11-23)33-19-5-16-28-14-3-1-2-4-15-28/h6-13H,1-5,14-20H2