2-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol

Systemtic Name: 2-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Openeye Name: 2-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol CAS Name: 2-methoxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol IUPAC Name: 2-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Traditional Name: 2-methoxy-4-[3-(4-phenylpiperazino)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(SC2=CC=CC=C2O1)CCCN3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1C(C(SC2=CC=CC=C2O1)CCCN3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H30N2O3S/c1-27-23-22(26)21(29-20-11-6-5-10-19(20)28-23)12-7-13-24-14-16-25(17-15-24)18-8-3-2-4-9-18/h2-6,8-11,21-23,26H,7,12-17H2,1H3