1-[5-methoxy-2-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol

Systemtic Name: 1-[5-methoxy-2-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol Openeye Name: 1-[5-methoxy-2-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol CAS Name: 1-[5-methoxy-2-[[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl]phenoxy]-3-(1-pyrrolidinyl)-2-propanol IUPAC Name: 1-[5-methoxy-2-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol Traditional Name: 1-[5-methoxy-2-[[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methyl]phenoxy]-3-pyrrolidino-propan-2-ol Formula: C24H35N5O3 MolecularWeight: 441.5664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCCN(CC2)C3=NC=CC=N3)OCC(CN4CCCC4)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCCN(CC2)C3=NC=CC=N3)OCC(CN4CCCC4)O

InChI

InChI=1S/C24H35N5O3/c1-31-22-7-6-20(23(16-22)32-19-21(30)18-27-10-2-3-11-27)17-28-12-5-13-29(15-14-28)24-25-8-4-9-26-24/h4,6-9,16,21,30H,2-3,5,10-15,17-19H2,1H3