1-(2-phenoxyethyl)-5-[4-(phenylmethyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 1-(2-phenoxyethyl)-5-[4-(phenylmethyl)piperazin-1-yl]azepan-2-one Openeye Name: 5-(4-benzylpiperazin-1-yl)-1-(2-phenoxyethyl)azepan-2-one CAS Name: 1-(2-phenoxyethyl)-5-[4-(phenylmethyl)-1-piperazinyl]-2-azepanone IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1-(2-phenoxyethyl)azepan-2-one Traditional Name: 5-(4-benzylpiperazino)-1-(2-phenoxyethyl)azepan-2-one Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c29-25-12-11-23(13-14-28(25)19-20-30-24-9-5-2-6-10-24)27-17-15-26(16-18-27)21-22-7-3-1-4-8-22/h1-10,23H,11-21H2