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

Systemtic Name: 1-(azepan-1-yl)-3-[4-chloranyl-2-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[4-chloro-2-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNCCC3=NC=CN=C3)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNCCC3=NC=CN=C3)O

InChI

InChI=1S/C22H31ClN4O2/c23-19-5-6-22(29-17-21(28)16-27-11-3-1-2-4-12-27)18(13-19)14-24-8-7-20-15-25-9-10-26-20/h5-6,9-10,13,15,21,24,28H,1-4,7-8,11-12,14,16-17H2