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

Systemtic Name: N-[2-[2-oxidanyl-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanamide Openeye Name: N-[2-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[2-[2-hydroxy-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]phenyl]acetamide IUPAC Name: N-[2-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[2-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxy-propoxy]phenyl]acetamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CN2CCCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CN2CCCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H31N3O3/c1-19(27)24-22-10-5-6-11-23(22)29-18-21(28)17-26-13-7-12-25(14-15-26)16-20-8-3-2-4-9-20/h2-6,8-11,21,28H,7,12-18H2,1H3,(H,24,27)