1-[2,4-bis(oxidanyl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentyl]azepan-2-one

Systemtic Name: 1-[2,4-bis(oxidanyl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentyl]azepan-2-one Openeye Name: 1-[2,4-dihydroxy-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentyl]azepan-2-one CAS Name: 1-[2,4-dihydroxy-5-[4-(2-phenoxyphenyl)-1-piperazinyl]pentyl]-2-azepanone IUPAC Name: 1-[2,4-dihydroxy-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentyl]azepan-2-one Traditional Name: 1-[2,4-dihydroxy-5-[4-(2-phenoxyphenyl)piperazino]pentyl]azepan-2-one Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(CC(CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4)O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC(CC(CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4)O)O

InChI

InChI=1S/C27H37N3O4/c31-22(19-23(32)21-30-14-8-2-5-13-27(30)33)20-28-15-17-29(18-16-28)25-11-6-7-12-26(25)34-24-9-3-1-4-10-24/h1,3-4,6-7,9-12,22-23,31-32H,2,5,8,13-21H2