(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methyl-2-phenyl-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-methyl-2-phenyl-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-methyl-2-phenyl-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-methyl-2-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methyl-2-phenyl-piperazino)prop-2-en-1-one Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H25ClN2O3/c1-25-10-11-26(20(16-25)18-6-3-2-4-7-18)22(27)9-8-17-14-19(24)23-21(15-17)28-12-5-13-29-23/h2-4,6-9,14-15,20H,5,10-13,16H2,1H3/b9-8+