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

Systemtic Name: 1-(azepan-1-yl)-3-[4-chloranyl-2-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[4-chloro-2-[[3-(1-pyrazolyl)propylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Formula: C22H33ClN4O2 MolecularWeight: 420.97602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNCCCN3C=CC=N3)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNCCCN3C=CC=N3)O

InChI

InChI=1S/C22H33ClN4O2/c23-20-7-8-22(29-18-21(28)17-26-11-3-1-2-4-12-26)19(15-20)16-24-9-5-13-27-14-6-10-25-27/h6-8,10,14-15,21,24,28H,1-5,9,11-13,16-18H2