1-[4-[2-oxidanyl-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[2-oxidanyl-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2CCCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN2CCCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-19(26)21-8-10-23(11-9-21)28-18-22(27)17-25-13-5-12-24(14-15-25)16-20-6-3-2-4-7-20/h2-4,6-11,22,27H,5,12-18H2,1H3