1-(azepan-1-yl)-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[3-(1-pyrazolyl)propylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCCN2C=CC=N2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCCN2C=CC=N2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C23H36N4O3/c1-29-23-16-20(17-24-10-6-14-27-15-7-11-25-27)8-9-22(23)30-19-21(28)18-26-12-4-2-3-5-13-26/h7-9,11,15-16,21,24,28H,2-6,10,12-14,17-19H2,1H3