(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(3-thienylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(3-thenyl)piperazino]prop-2-en-1-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)N3CCN(CC3)CC4=CSC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)N3CCN(CC3)CC4=CSC=C4)Cl)OC1

InChI

InChI=1S/C21H23ClN2O3S/c22-18-12-16(13-19-21(18)27-10-1-9-26-19)2-3-20(25)24-7-5-23(6-8-24)14-17-4-11-28-15-17/h2-4,11-13,15H,1,5-10,14H2/b3-2+