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

Systemtic Name: 7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Openeye Name: 7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol CAS Name: 7-methoxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol IUPAC Name: 7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol Traditional Name: 7-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:

COC1=CC2=C(C=C1)OCC(C(S2)CCCN3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)CCCN3CCN(CC3)C4=CC=CC=C4)O

InChI

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