1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol CAS Name: 1-[4-(1-azepanylmethyl)-2-methoxyphenoxy]-3-(4-ethyl-1-piperazinyl)-2-propanol IUPAC Name: 1-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[4-(azepan-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazino)propan-2-ol Formula: C23H39N3O3 MolecularWeight: 405.57406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=C(C=C(C=C2)CN3CCCCCC3)OC)O

Isomeric SMILES

CCN1CCN(CC1)CC(COC2=C(C=C(C=C2)CN3CCCCCC3)OC)O

InChI

InChI=1S/C23H39N3O3/c1-3-24-12-14-26(15-13-24)18-21(27)19-29-22-9-8-20(16-23(22)28-2)17-25-10-6-4-5-7-11-25/h8-9,16,21,27H,3-7,10-15,17-19H2,1-2H3