1-(dimethylamino)-3-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(dimethylamino)-3-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: 1-(dimethylamino)-3-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]propan-2-ol CAS Name: 1-(dimethylamino)-3-[4-[[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl]phenoxy]-2-propanol IUPAC Name: 1-(dimethylamino)-3-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: 1-(dimethylamino)-3-[4-[[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methyl]phenoxy]propan-2-ol Formula: C21H31N5O2 MolecularWeight: 385.50314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C21H31N5O2/c1-24(2)16-19(27)17-28-20-7-5-18(6-8-20)15-25-11-4-12-26(14-13-25)21-22-9-3-10-23-21/h3,5-10,19,27H,4,11-17H2,1-2H3