(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(4-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-pyridin-4-yl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(4-pyridyl)piperazino]prop-2-en-1-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C4=CC=NC=C4)OC1

InChI

InChI=1S/C21H23N3O3/c25-21(24-12-10-23(11-13-24)18-6-8-22-9-7-18)5-3-17-2-4-19-20(16-17)27-15-1-14-26-19/h2-9,16H,1,10-15H2/b5-3+