(E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-quinolin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-(2-quinolyl)prop-2-en-1-one Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C=CC4=NC5=CC=CC=C5C=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)/C=C/C4=NC5=CC=CC=C5C=C4)OC1

InChI

InChI=1S/C25H25N3O5S/c29-25(11-8-20-7-6-19-4-1-2-5-22(19)26-20)27-12-14-28(15-13-27)34(30,31)21-9-10-23-24(18-21)33-17-3-16-32-23/h1-2,4-11,18H,3,12-17H2/b11-8+