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

Systemtic Name: 1-(azepan-1-yl)-3-[4-chloranyl-2-[(thiophen-3-ylmethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(3-thienylmethylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[4-chloro-2-[(3-thiophenylmethylamino)methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(thiophen-3-ylmethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[4-chloro-2-[(3-thenylamino)methyl]phenoxy]propan-2-ol Formula: C21H29ClN2O2S MolecularWeight: 408.98516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNCC3=CSC=C3)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNCC3=CSC=C3)O

InChI

InChI=1S/C21H29ClN2O2S/c22-19-5-6-21(18(11-19)13-23-12-17-7-10-27-16-17)26-15-20(25)14-24-8-3-1-2-4-9-24/h5-7,10-11,16,20,23,25H,1-4,8-9,12-15H2